
 ellipticine

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.9669    0.0321   -0.0025 C   0  0  0  0  0
    2.4752    0.0041   -0.0013 C   0  0  0  0  0
    3.2366    1.1889   -0.0005 C   0  0  0  0  0
    4.6296    1.2194   -0.0000 C   0  0  0  0  0
    5.3493   -0.0106    0.0019 C   0  0  0  0  0
    4.6069   -1.2401   -0.0007 C   0  0  0  0  0
    3.1897   -1.2266   -0.0009 C   0  0  0  0  0
    2.5118   -2.4642   -0.0027 C   0  0  0  0  0
    3.2189   -3.6530   -0.0029 C   0  0  0  0  0
    4.5547   -3.7112   -0.0027 N   0  0  0  0  0
    5.2011   -2.5197   -0.0015 C   0  0  0  0  0
    6.8585    0.0125    0.0035 C   0  0  0  0  0
    5.0232    2.6119   -0.0009 C   0  0  0  0  0
    6.2578    3.3010   -0.0021 C   0  0  0  0  0
    6.2798    4.7016   -0.0026 C   0  0  0  0  0
    5.0942    5.4280   -0.0023 C   0  0  0  0  0
    3.8590    4.7779   -0.0017 C   0  0  0  0  0
    3.8606    3.3773   -0.0012 C   0  0  0  0  0
    2.8092    2.4997   -0.0010 N   0  0  0  0  0
    0.5694    1.0506    0.0010 H   0  0  0  0  0
    0.5769   -0.4683    0.8901 H   0  0  0  0  0
    0.5792   -0.4617   -0.8996 H   0  0  0  0  0
    1.4289   -2.5238   -0.0032 H   0  0  0  0  0
    2.7074   -4.6108   -0.0037 H   0  0  0  0  0
    6.2779   -2.6515   -0.0022 H   0  0  0  0  0
    7.3329   -0.9677    0.0173 H   0  0  0  0  0
    7.2162    0.5439    0.8913 H   0  0  0  0  0
    7.2187    0.5235   -0.8953 H   0  0  0  0  0
    7.1988    2.7616   -0.0028 H   0  0  0  0  0
    7.2340    5.2229   -0.0033 H   0  0  0  0  0
    5.1287    6.5150   -0.0026 H   0  0  0  0  0
    2.9339    5.3452   -0.0017 H   0  0  0  0  0
    1.8424    2.7856   -0.0013 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  5  2  0  0  0
  4 13  1  0  0  0
  5  6  1  0  0  0
  5 12  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 11  2  0  0  0
 11 25  1  0  0  0
 12 26  1  0  0  0
 12 27  1  0  0  0
 12 28  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 15 16  2  0  0  0
 15 30  1  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 17 18  2  0  0  0
 17 32  1  0  0  0
 18 19  1  0  0  0
 19 33  1  0  0  0
M  END

>  <Chemical Name>
ellipticine

>  <PubChem CID>
3213

>  <Formula>
C17H14N2

>  <Molecular Weight>
246.313000

>  <IUPAC Name>
5,11-dimethyl-6H-pyrido[4,3-b]carbazole

>  <XlogP>
4.800

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1=C2C(=C(C3=C1C=CN=C3)C)C4=CC=CC=C4N2

>  <Isomeric SMILES>
CC1=C2C(=C(C3=C1C=CN=C3)C)C4=CC=CC=C4N2

>  <InChI Std. ID>
InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3

>  <InChI Key>
CTSPAMFJBXKSOY-UHFFFAOYSA-N

