5468257
  -OEChem-04282423452D

 32 34  0     1  0  0  0  0  0999 V2000
    4.6660   -1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.8100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5321    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    0.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441    0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.1429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 16  1  0  0  0  0
 11 23  1  0  0  0  0
 12 17  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5468257

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
310

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAACRQAAAHgAYAAAADByhmAIwBoACBACgAyBiAAACCAAgIAAIiAA2CJgMJqKEMRqCOCCkwBEIqAeAwOAOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-phenylchroman-4-one hydrazone

> <PUBCHEM_IUPAC_CAS_NAME>
2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one hydrazone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>Z</I>)-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazine

> <PUBCHEM_IUPAC_NAME>
(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)diazane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-phenylchroman-4-one hydrazone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H14N2O/c16-17-13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-9,15H,10,16H2/b17-13-

> <PUBCHEM_IUPAC_INCHIKEY>
LTYOJFOTFBGRPP-LGMDPLHJSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
238.110613074

> <PUBCHEM_MOLECULAR_FORMULA>
C15H14N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
238.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(OC2=CC=CC=C2C1=NN)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C\1C(OC2=CC=CC=C2/C1=N\N)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
47.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
238.110613074

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  16  8
12  17  8
13  15  8
14  15  8
16  18  8
17  18  8
4  7  3
7  11  8
7  12  8
8  10  8
8  9  8
9  13  8

$$$$
