46232175
  -OEChem-04262422222D

 32 35  0     0  0  0  0  0  0999 V2000
    5.5022   -1.0556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5138    2.0137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359   -2.0450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2461    2.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    0.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0382    0.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1441    2.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0462    2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -2.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -2.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.6409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651   -0.8309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7056    2.3244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0604    0.8120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5715    0.6698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1418    3.1684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5844    2.3355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617    0.0716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.7438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742   -3.1684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4681   -2.3638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2  8  2  0  0  0  0
  3 16  1  0  0  0  0
  3 20  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6  9  1  0  0  0  0
  6 14  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 25  1  0  0  0  0
 14 17  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 21  2  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46232175

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
445

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIEAAAAAAADB1AAAHgAAAAAADAzBngQ8htIIFACoA7R3RASCiCA1IiAI2CE+bNgOJvbEtZuHOWjk4BHY6QeYyPCOoAADAAAYAABAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(2-pyridyl)benzo[f]chromen-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-(2-pyridinyl)-1-benzo[f][1]benzopyranone

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-pyridin-2-ylbenzo[f]chromen-1-one

> <PUBCHEM_IUPAC_NAME>
3-pyridin-2-ylbenzo[f]chromen-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-pyridin-2-ylbenzo[f]chromen-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2-pyridyl)benzo[f]chromen-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H11NO2/c20-15-11-17(14-7-3-4-10-19-14)21-16-9-8-12-5-1-2-6-13(12)18(15)16/h1-11H

> <PUBCHEM_IUPAC_INCHIKEY>
ZTEHSCMHCBKLIH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
273.078978594

> <PUBCHEM_MOLECULAR_FORMULA>
C18H11NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
273.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=CC3=C2C(=O)C=C(O3)C4=CC=CC=N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=CC3=C2C(=O)C=C(O3)C4=CC=CC=N4

> <PUBCHEM_CACTVS_TPSA>
39.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
273.078978594

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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>
1  12  8
1  7  8
11  15  8
12  13  8
14  17  8
15  17  8
16  18  8
18  19  8
19  21  8
20  21  8
3  16  8
3  20  8
4  5  8
4  7  8
4  8  8
5  11  8
5  6  8
6  14  8
6  9  8
7  10  8
8  13  8
9  10  8

$$$$