7963
  DSViewer          3D                             0

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.8234   -2.3137   -0.0001 N   0  0  0  0  0  0  0  0  0  1
    2.8395    0.4459    0.0003 C   0  0  0  0  0  0  0  0  0  2
    1.6899   -0.2203    0.0001 C   0  0  0  0  0  0  0  0  0  3
    4.0906   -0.2979    0.0002 C   0  0  0  0  0  0  0  0  0  4
    2.8479    1.9463    0.0005 C   0  0  0  0  0  0  0  0  0  5
    1.7145   -1.6843   -0.0001 C   0  0  0  0  0  0  0  0  0  6
    4.0558   -1.6294    0.0000 C   0  0  0  0  0  0  0  0  0  7
    0.7410    0.3159    0.0001 H   0  0  0  0  0  0  0  0  0  8
    5.0449    0.2286    0.0004 H   0  0  0  0  0  0  0  0  0  9
    3.8774    2.3044    0.0006 H   0  0  0  0  0  0  0  0  0 10
    2.3362    2.3129    0.8904 H   0  0  0  0  0  0  0  0  0 11
    2.3363    2.3132   -0.8894 H   0  0  0  0  0  0  0  0  0 12
    0.7772   -2.2406   -0.0002 H   0  0  0  0  0  0  0  0  0 13
    4.9879   -2.1945    0.0000 H   0  0  0  0  0  0  0  0  0 14
  1  6  2  0  0  0
  1  7  1  0  0  0
  2  3  2  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  3  6  1  0  0  0
  3  8  1  0  0  0
  4  7  2  0  0  0
  4  9  1  0  0  0
  5 10  1  0  0  0
  5 11  1  0  0  0
  5 12  1  0  0  0
  6 13  1  0  0  0
  7 14  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7963

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
46.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiAAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAAAAAAADADBGgQ+gJIIEACgAjBnRACCgCAxAiAI2CA4ZJgIIGLAkZGEIAhggADIyAYQAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-methylpyridine

> <PUBCHEM_IUPAC_CAS_NAME>
4-methylpyridine

> <PUBCHEM_IUPAC_NAME>
4-methylpyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methylpyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
$g-picoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
FKNQCJSGGFJEIZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.2

> <PUBCHEM_EXACT_MASS>
93.0578

> <PUBCHEM_MOLECULAR_FORMULA>
C6H7N

> <PUBCHEM_MOLECULAR_WEIGHT>
93.1265

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=NC=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=NC=C1

> <PUBCHEM_CACTVS_TPSA>
12.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
93.0578

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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  6  8
1  7  8
2  3  8
2  4  8
3  6  8
4  7  8

$$$$
