
 CHEMBL2058633

 24 25  0  0  0  0  0  0  0  0999 V2000
   -0.9848    0.9176   -0.8874 C   0  0  0  0  0
    0.1247    1.1873    0.0955 C   0  0  0  0  0
    1.3034    1.2617   -0.8489 C   0  0  0  0  0
    0.9858    1.5001   -2.0841 N   0  0  0  0  0
   -0.4821    1.6158   -2.1331 C   0  0  0  0  0
    2.5511    1.0885   -0.3103 N   0  0  0  0  0
    3.8215    1.1739   -0.9201 C   0  0  0  0  0
    4.0118    1.5524   -2.2545 C   0  0  0  0  0
    5.2926    1.6216   -2.8166 C   0  0  0  0  0
    6.4139    1.3072   -2.0549 C   0  0  0  0  0
    6.2567    0.9217   -0.7272 C   0  0  0  0  0
    4.9756    0.8563   -0.1698 C   0  0  0  0  0
    4.8377    0.3713    1.4896 Cl  0  0  0  0  0
   -1.0725   -0.1602   -1.0700 H   0  0  0  0  0
   -1.9578    1.2880   -0.5538 H   0  0  0  0  0
    0.2371    0.3926    0.8367 H   0  0  0  0  0
    0.0091    2.1539    0.5961 H   0  0  0  0  0
   -0.7638    2.6746   -2.1468 H   0  0  0  0  0
   -0.8741    1.1402   -3.0374 H   0  0  0  0  0
    2.6078    0.8645    0.6783 H   0  0  0  0  0
    3.1686    1.8106   -2.8887 H   0  0  0  0  0
    5.4054    1.9236   -3.8555 H   0  0  0  0  0
    7.4057    1.3623   -2.4961 H   0  0  0  0  0
    7.1312    0.6737   -0.1318 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  4  2  0  0  0
  3  6  1  0  0  0
  4  5  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  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  9 10  2  0  0  0
  9 22  1  0  0  0
 10 11  1  0  0  0
 10 23  1  0  0  0
 11 12  2  0  0  0
 11 24  1  0  0  0
 12 13  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2058633

>  <PubChem CID>
7059292

>  <Formula>
C10H11ClN2

>  <Molecular Weight>
194.662000

>  <IUPAC Name>
N-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CC(=NC1)NC2=CC=CC=C2Cl

>  <Isomeric SMILES>
C1CC(=NC1)NC2=CC=CC=C2Cl

>  <InChI Std. ID>
InChI=1S/C10H11ClN2/c11-8-4-1-2-5-9(8)13-10-6-3-7-12-10/h1-2,4-5H,3,6-7H2,(H,12,13)

>  <InChI Key>
DADXHMUZIXRGOH-UHFFFAOYSA-N

