
 CHEMBL3329369

 33 35  0  0  0  0  0  0  0  0999 V2000
    0.5971    0.8346   -0.7435 C   0  0  0  0  0
    2.0300    0.8013   -0.4630 N   0  0  0  0  0
    2.5359   -0.5914   -0.4247 C   0  0  0  0  0
    2.6657   -1.2731   -1.8009 C   0  0  0  0  0
    3.4648   -0.4309   -2.8046 C   0  0  0  0  0
    2.9021    0.9801   -2.8255 C   0  0  0  0  0
    2.8675    1.5578   -1.3944 C   0  0  0  0  0
    2.6086    3.0037   -1.7119 C   0  0  0  0  0
    2.0494    4.0050   -0.9362 C   0  0  0  0  0
    2.0469    5.3040   -1.4507 C   0  0  0  0  0
    2.6554    5.5955   -2.6833 C   0  0  0  0  0
    3.2139    4.5860   -3.4668 C   0  0  0  0  0
    3.1590    3.2890   -2.9797 C   0  0  0  0  0
    3.6745    2.0333   -3.6371 C   0  0  0  0  0
    2.6961    6.8929   -3.1159 O   0  0  0  0  0
    1.4594    6.3163   -0.7426 O   0  0  0  0  0
    0.2024    1.8490   -0.6685 H   0  0  0  0  0
    0.0571    0.2495    0.0121 H   0  0  0  0  0
    0.3317    0.4322   -1.7243 H   0  0  0  0  0
    1.9100   -1.2039    0.2339 H   0  0  0  0  0
    3.5266   -0.5791    0.0497 H   0  0  0  0  0
    3.1490   -2.2491   -1.6805 H   0  0  0  0  0
    1.6652   -1.4678   -2.2082 H   0  0  0  0  0
    4.5227   -0.4179   -2.5140 H   0  0  0  0  0
    3.4081   -0.8814   -3.8031 H   0  0  0  0  0
    1.8826    0.9351   -3.2406 H   0  0  0  0  0
    3.8865    1.5449   -0.9771 H   0  0  0  0  0
    1.6414    3.7775    0.0425 H   0  0  0  0  0
    3.6685    4.7945   -4.4287 H   0  0  0  0  0
    3.4168    1.9881   -4.6990 H   0  0  0  0  0
    4.7581    1.9499   -3.5039 H   0  0  0  0  0
    3.3490    6.9614   -3.8265 H   0  0  0  0  0
    0.8733    5.9224   -0.0804 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 14  1  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
 10 16  1  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 12 13  2  0  0  0
 12 29  1  0  0  0
 14 13  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15 32  1  0  0  0
 16 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3329369

>  <PubChem CID>
118712352

>  <Formula>
C13H17NO2

>  <Molecular Weight>
219.284000

>  <IUPAC Name>
1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine-7,8-diol

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCCC2C1C3=CC(=C(C=C3C2)O)O

>  <Isomeric SMILES>
CN1CCCC2C1C3=CC(=C(C=C3C2)O)O

>  <InChI Std. ID>
InChI=1S/C13H17NO2/c1-14-4-2-3-8-5-9-6-11(15)12(16)7-10(9)13(8)14/h6-8,13,15-16H,2-5H2,1H3

>  <InChI Key>
CMNWERCMEQHPQT-UHFFFAOYSA-N

