
 CHEMBL92879

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.0550    0.0222   -0.0026 C   0  0  0  0  0
    2.5004    0.0018    0.0103 N   0  0  0  0  0
    3.2873    1.1206    0.0216 C   0  0  0  0  0
    4.6121    0.7359   -0.0075 C   0  0  0  0  0
    5.7460    1.7087    0.0045 C   0  0  0  0  0
    5.2776    3.0563   -0.3875 N   0  0  0  0  0
    4.0552    3.4479    0.3427 C   0  0  0  0  0
    2.8417    2.5424    0.0160 C   0  0  0  0  0
    4.6338   -0.6872   -0.0064 C   0  0  0  0  0
    5.6686   -1.6457   -0.0133 C   0  0  0  0  0
    5.3526   -3.0075   -0.0056 C   0  0  0  0  0
    4.0258   -3.4236    0.0088 C   0  0  0  0  0
    2.9801   -2.4950    0.0155 C   0  0  0  0  0
    3.3015   -1.1266    0.0082 C   0  0  0  0  0
    0.6557   -0.9913   -0.0598 H   0  0  0  0  0
    0.7264    0.5913   -0.8763 H   0  0  0  0  0
    0.7105    0.5002    0.9181 H   0  0  0  0  0
    6.1868    1.7459    1.0076 H   0  0  0  0  0
    6.5252    1.3916   -0.6963 H   0  0  0  0  0
    6.0198    3.7213   -0.1834 H   0  0  0  0  0
    4.2557    3.4310    1.4220 H   0  0  0  0  0
    3.8014    4.4822    0.0850 H   0  0  0  0  0
    2.0473    2.7131    0.7500 H   0  0  0  0  0
    2.4514    2.7933   -0.9775 H   0  0  0  0  0
    6.7075   -1.3306   -0.0267 H   0  0  0  0  0
    6.1514   -3.7444   -0.0122 H   0  0  0  0  0
    3.7960   -4.4866    0.0137 H   0  0  0  0  0
    1.9514   -2.8389    0.0261 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2 14  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 11 12  2  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 13 14  2  0  0  0
 13 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL92879

>  <PubChem CID>
18677411

>  <Formula>
C12H14N2

>  <Molecular Weight>
186.258000

>  <IUPAC Name>
5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CN1C2=C(CNCC2)C3=CC=CC=C31

>  <Isomeric SMILES>
CN1C2=C(CNCC2)C3=CC=CC=C31

>  <InChI Std. ID>
InChI=1S/C12H14N2/c1-14-11-5-3-2-4-9(11)10-8-13-7-6-12(10)14/h2-5,13H,6-8H2,1H3

>  <InChI Key>
LSHHYKYAEHDOGB-UHFFFAOYSA-N

