66678
 OpenBabel05082101102D

 24 25  0  0  0  0  0  0  0  0999 V2000
    5.4920   -0.7247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8856    1.8237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0874    1.8144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0089    0.7247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6071    1.4145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6071   -0.7945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0089   -0.1047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848   -1.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.7730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 19  1  0  0  0  0
  8 10  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
66678

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
133

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByAAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHAAQAAAADAjBGAQywILAAACAAiRCQACCAAAhAgAIiIAIZIgIICLAkZGEIAhgkADIyAcQgMAOCAACAAACAAAQAAQAAAQAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
6-methyl-1,2,3,4-tetrahydroquinoline

>  <PUBCHEM_IUPAC_CAS_NAME>
6-methyl-1,2,3,4-tetrahydroquinoline

>  <PUBCHEM_IUPAC_NAME_MARKUP>
6-methyl-1,2,3,4-tetrahydroquinoline

>  <PUBCHEM_IUPAC_NAME>
6-methyl-1,2,3,4-tetrahydroquinoline

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-methyl-1,2,3,4-tetrahydroquinoline

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-methyl-1,2,3,4-tetrahydroquinoline

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H13N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
XOKMRXSMOHCNIX-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
2.7

>  <PUBCHEM_EXACT_MASS>
147.104799

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H13N

>  <PUBCHEM_MOLECULAR_WEIGHT>
147.22

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C=C1)NCCC2

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C=C1)NCCC2

>  <PUBCHEM_CACTVS_TPSA>
12

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
147.104799

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <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>
4  6  8
4  7  8
6  8  8
7  9  8
8  10  8
9  10  8

$$$$
