9189
  -OEChem-05062403112D

 23 25  0     0  0  0  0  0  0999 V2000
    4.6660   -1.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500    1.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4421    0.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5480    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4501    1.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1095    1.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9754   -0.0766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.4219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5456    2.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9882    1.5891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.6002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  7 12  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
 10 14  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  2  0  0  0  0
 11 20  1  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9189

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
201

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByAAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx/AAAHAAAAAAADAjBHgQ8wPIIEACgAzRnRACCgCAxAiAI2CA4ZJgIIOLAkZGEIAhggADIyAcQgMAOgAAAAAASAAAAAAAAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
phenanthridine

> <PUBCHEM_IUPAC_CAS_NAME>
phenanthridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
phenanthridine

> <PUBCHEM_IUPAC_NAME>
phenanthridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
phenanthridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
phenanthridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H

> <PUBCHEM_IUPAC_INCHIKEY>
RDOWQLZANAYVLL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.5

> <PUBCHEM_EXACT_MASS>
179.073499291

> <PUBCHEM_MOLECULAR_FORMULA>
C13H9N

> <PUBCHEM_MOLECULAR_WEIGHT>
179.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=NC3=CC=CC=C23

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=NC3=CC=CC=C23

> <PUBCHEM_CACTVS_TPSA>
12.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
179.073499291

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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  5  8
1  8  8
10  14  8
11  13  8
12  14  8
2  3  8
2  4  8
2  6  8
3  5  8
3  7  8
4  8  8
4  9  8
5  10  8
6  11  8
7  12  8
9  13  8

$$$$