13886
  DSViewer          3D                             0

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.0938   -2.9239   -0.0001 N   0  0  0  0  0  0  0  0  0  1
    2.9594    0.6241    0.0002 C   0  0  0  0  0  0  0  0  0  2
    2.9514   -0.8374    0.0002 C   0  0  0  0  0  0  0  0  0  3
    4.1159    1.2853   -0.0002 C   0  0  0  0  0  0  0  0  0  4
    1.6937    1.3616    0.0006 C   0  0  0  0  0  0  0  0  0  5
    1.6891   -1.5615    0.0007 C   0  0  0  0  0  0  0  0  0  6
    4.0975   -1.5161   -0.0001 C   0  0  0  0  0  0  0  0  0  7
    4.1222    2.7499   -0.0003 C   0  0  0  0  0  0  0  0  0  8
    1.6992    2.6934    0.0006 C   0  0  0  0  0  0  0  0  0  9
    2.9713    3.4207    0.0001 C   0  0  0  0  0  0  0  0  0 10
    1.7125   -2.8901    0.0007 C   0  0  0  0  0  0  0  0  0 11
    3.0028   -3.5835    0.0003 C   0  0  0  0  0  0  0  0  0 12
    5.0576    0.7363   -0.0005 H   0  0  0  0  0  0  0  0  0 13
    0.7475    0.8204    0.0009 H   0  0  0  0  0  0  0  0  0 14
    0.7411   -1.0236    0.0010 H   0  0  0  0  0  0  0  0  0 15
    5.0452   -0.9775   -0.0005 H   0  0  0  0  0  0  0  0  0 16
    5.0684    3.2909   -0.0006 H   0  0  0  0  0  0  0  0  0 17
    0.7575    3.2424    0.0009 H   0  0  0  0  0  0  0  0  0 18
    2.9759    4.5107    0.0001 H   0  0  0  0  0  0  0  0  0 19
    0.7819   -3.4576    0.0010 H   0  0  0  0  0  0  0  0  0 20
    3.0305   -4.6732    0.0003 H   0  0  0  0  0  0  0  0  0 21
  1  7  1  0  0  0
  1 12  2  0  0  0
  2  3  1  0  0  0
  2  4  2  0  0  0
  2  5  1  0  0  0
  3  6  1  0  0  0
  3  7  2  0  0  0
  4  8  1  0  0  0
  4 13  1  0  0  0
  5  9  2  0  0  0
  5 14  1  0  0  0
  6 11  2  0  0  0
  6 15  1  0  0  0
  7 16  1  0  0  0
  8 10  2  0  0  0
  8 17  1  0  0  0
  9 10  1  0  0  0
  9 18  1  0  0  0
 10 19  1  0  0  0
 11 12  1  0  0  0
 11 20  1  0  0  0
 12 21  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
13886

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
127

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByAAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHAAAAAAADADBGgQ8gJIIEACgAjBnRACCgCAxAiAI2CA4ZJgIIOLAkZGEIAhggADIyAcQgMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-phenylpyridine

> <PUBCHEM_IUPAC_CAS_NAME>
3-phenylpyridine

> <PUBCHEM_IUPAC_NAME>
3-phenylpyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-phenylpyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-phenylpyridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H

> <PUBCHEM_IUPAC_INCHIKEY>
HJKGBRPNSJADMB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
155.074

> <PUBCHEM_MOLECULAR_FORMULA>
C11H9N

> <PUBCHEM_MOLECULAR_WEIGHT>
155.196

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=CN=CC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=CN=CC=C2

> <PUBCHEM_CACTVS_TPSA>
12.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
155.074

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

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

$$$$
