
 CHEMBL6310

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.0571   -0.0724   -0.2686 C   0  0  0  0  0
    2.4751    0.0031   -0.1997 O   0  0  0  0  0
    3.0291    1.2567   -0.1804 C   0  0  0  0  0
    4.4300    1.2622   -0.1747 C   0  0  0  0  0
    5.0909    2.4971   -0.1588 C   0  0  0  0  0
    4.4029    3.7129   -0.1438 C   0  0  0  0  0
    2.9959    3.6903   -0.1477 C   0  0  0  0  0
    2.3221    2.4590   -0.1650 C   0  0  0  0  0
    5.3832    4.7384   -0.1315 C   0  0  0  0  0
    6.6242    4.1364   -0.1414 C   0  0  0  0  0
    6.4404    2.7828   -0.1605 N   0  0  0  0  0
    7.9359    4.8336   -0.1073 C   0  0  0  0  0
    7.7689    6.2508   -0.4753 N   0  0  0  0  0
    6.6224    6.8690    0.2253 C   0  0  0  0  0
    5.2613    6.2226   -0.1382 C   0  0  0  0  0
    0.7803   -1.1304   -0.3057 H   0  0  0  0  0
    0.6792    0.4020   -1.1805 H   0  0  0  0  0
    0.5953    0.3611    0.6245 H   0  0  0  0  0
    4.9822    0.3282   -0.1877 H   0  0  0  0  0
    2.4333    4.6189   -0.1386 H   0  0  0  0  0
    1.2376    2.4826   -0.1661 H   0  0  0  0  0
    7.1721    2.0864   -0.1767 H   0  0  0  0  0
    8.3647    4.7603    0.8990 H   0  0  0  0  0
    8.6371    4.3665   -0.8067 H   0  0  0  0  0
    8.6213    6.7514   -0.2344 H   0  0  0  0  0
    6.5841    7.9342   -0.0290 H   0  0  0  0  0
    6.7866    6.8084    1.3092 H   0  0  0  0  0
    4.9566    6.5492   -1.1398 H   0  0  0  0  0
    4.4954    6.5522    0.5720 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  5 11  1  0  0  0
  5  6  2  0  0  0
  6  9  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 20  1  0  0  0
  8 21  1  0  0  0
  9 15  1  0  0  0
  9 10  2  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 11 22  1  0  0  0
 12 13  1  0  0  0
 12 23  1  0  0  0
 12 24  1  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 14 27  1  0  0  0
 15 28  1  0  0  0
 15 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL6310

>  <PubChem CID>
599482

>  <Formula>
C12H14N2O

>  <Molecular Weight>
202.257000

>  <IUPAC Name>
7-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=CC2=C(C=C1)C3=C(N2)CNCC3

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)C3=C(N2)CNCC3

>  <InChI Std. ID>
InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3

>  <InChI Key>
SCIRNASYBOGBOO-UHFFFAOYSA-N

