
 CHEMBL503605

 32 34  0  0  0  0  0  0  0  0999 V2000
   -0.5953    1.3248   -0.0818 C   0  0  0  0  0
   -2.0978    1.2566    0.2732 C   0  0  0  0  0
   -2.4075    0.0012    0.9688 N   0  0  0  0  0
   -1.5574   -0.2156    2.1414 C   0  0  0  0  0
   -0.0659   -0.1516    1.7575 C   0  0  0  0  0
    0.2888    1.1173    1.0831 N   0  0  0  0  0
   -2.8318   -1.1372    0.2767 C   0  0  0  0  0
   -2.4241   -2.2593    0.5763 O   0  0  0  0  0
   -3.7847   -0.9789   -0.8037 C   0  0  0  0  0
   -4.7533   -0.0246   -1.0665 C   0  0  0  0  0
   -5.4185   -0.3765   -2.2738 C   0  0  0  0  0
   -4.8697   -1.5822   -2.7053 C   0  0  0  0  0
   -3.9151   -1.9393   -1.7845 N   0  0  0  0  0
   -5.2928   -2.2369   -3.8674 C   0  0  0  0  0
   -6.3088   -1.6310   -4.6137 C   0  0  0  0  0
   -6.8731   -0.4255   -4.2020 C   0  0  0  0  0
   -6.4450    0.2149   -3.0349 C   0  0  0  0  0
   -8.1229    0.2911   -5.1469 Cl  0  0  0  0  0
   -0.3607    0.5704   -0.8428 H   0  0  0  0  0
   -0.3713    2.3017   -0.5236 H   0  0  0  0  0
   -2.6702    1.3760   -0.6466 H   0  0  0  0  0
   -2.3653    2.0788    0.9473 H   0  0  0  0  0
   -1.7936    0.5719    2.8669 H   0  0  0  0  0
   -1.7863   -1.1758    2.6159 H   0  0  0  0  0
    0.5484   -0.2531    2.6586 H   0  0  0  0  0
    0.1922   -0.9890    1.0981 H   0  0  0  0  0
    0.1395    1.8812    1.7418 H   0  0  0  0  0
   -4.9658    0.8423   -0.4540 H   0  0  0  0  0
   -3.3653   -2.7885   -1.8083 H   0  0  0  0  0
   -4.8552   -3.1788   -4.1825 H   0  0  0  0  0
   -6.6589   -2.1143   -5.5232 H   0  0  0  0  0
   -6.8928    1.1520   -2.7202 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6 27  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 17  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 13 29  1  0  0  0
 14 15  2  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 17 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL503605

>  <PubChem CID>
21638785

>  <Formula>
C13H14ClN3O

>  <Molecular Weight>
263.725000

>  <IUPAC Name>
(5-chloro-1H-indol-2-yl)-piperazin-1-ylmethanone

>  <XlogP>
1.800

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCN1)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl

>  <Isomeric SMILES>
C1CN(CCN1)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl

>  <InChI Std. ID>
InChI=1S/C13H14ClN3O/c14-10-1-2-11-9(7-10)8-12(16-11)13(18)17-5-3-15-4-6-17/h1-2,7-8,15-16H,3-6H2

>  <InChI Key>
RNGVSSIIHLHHSN-UHFFFAOYSA-N

