
 CHEMBL25133

 44 46  0  0  0  0  0  0  0  0999 V2000
    1.5223    0.3783    1.1709 C   0  0  0  0  0
    2.2591    0.0931   -0.1435 C   0  0  0  0  0
    1.3455   -0.6562   -1.1502 C   0  0  0  0  0
    0.1563    0.1138   -1.6532 C   0  0  0  0  0
    0.1206    0.8943   -2.7927 C   0  0  0  0  0
   -1.1374    1.4132   -2.9264 N   0  0  0  0  0
   -1.9392    0.9859   -1.8950 C   0  0  0  0  0
   -3.2859    1.2644   -1.6281 C   0  0  0  0  0
   -3.8583    0.6770   -0.4970 C   0  0  0  0  0
   -3.1143   -0.1624    0.3272 C   0  0  0  0  0
   -1.7707   -0.4347    0.0412 C   0  0  0  0  0
   -1.1620    0.1562   -1.0860 C   0  0  0  0  0
    2.8438    1.3068   -0.7541 N   0  0  0  0  0
    3.8006    1.9937    0.1354 C   0  0  0  0  0
    4.4855    3.1722   -0.5994 C   0  0  0  0  0
    5.4568    3.9050    0.2995 C   0  0  0  0  0
    5.1732    5.2112    0.7295 C   0  0  0  0  0
    6.0444    5.8723    1.5968 C   0  0  0  0  0
    7.2028    5.2468    2.0510 C   0  0  0  0  0
    7.5005    3.9534    1.6250 C   0  0  0  0  0
    6.6355    3.2895    0.7517 C   0  0  0  0  0
    5.6780    7.4716    2.1174 Cl  0  0  0  0  0
    5.1753    2.6757   -1.7470 O   0  0  0  0  0
    2.2182    0.6770    1.9619 H   0  0  0  0  0
    1.0097   -0.5195    1.5322 H   0  0  0  0  0
    0.7813    1.1773    1.0579 H   0  0  0  0  0
    3.0835   -0.5957    0.0838 H   0  0  0  0  0
    0.9970   -1.5908   -0.6913 H   0  0  0  0  0
    1.9519   -0.9623   -2.0144 H   0  0  0  0  0
    0.8884    1.1165   -3.5240 H   0  0  0  0  0
   -1.4445    2.0148   -3.6781 H   0  0  0  0  0
   -3.8701    1.9117   -2.2730 H   0  0  0  0  0
   -4.9012    0.8752   -0.2607 H   0  0  0  0  0
   -3.5790   -0.6136    1.2005 H   0  0  0  0  0
   -1.2074   -1.0975    0.6902 H   0  0  0  0  0
    2.0779    1.9453   -0.9843 H   0  0  0  0  0
    4.5633    1.2671    0.4469 H   0  0  0  0  0
    3.2999    2.3776    1.0320 H   0  0  0  0  0
    3.7209    3.8673   -0.9653 H   0  0  0  0  0
    4.2723    5.7158    0.3891 H   0  0  0  0  0
    7.8775    5.7607    2.7296 H   0  0  0  0  0
    8.4060    3.4614    1.9691 H   0  0  0  0  0
    6.8856    2.2844    0.4167 H   0  0  0  0  0
    4.5841    1.9838   -2.1044 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4 12  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 23  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 42  1  0  0  0
 21 43  1  0  0  0
 23 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL25133

>  <PubChem CID>
11324939

>  <Formula>
C19H21ClN2O

>  <Molecular Weight>
328.840000

>  <IUPAC Name>
1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(CC1=CNC2=CC=CC=C21)NCC(C3=CC(=CC=C3)Cl)O

>  <Isomeric SMILES>
CC(CC1=CNC2=CC=CC=C21)NCC(C3=CC(=CC=C3)Cl)O

>  <InChI Std. ID>
InChI=1S/C19H21ClN2O/c1-13(9-15-11-22-18-8-3-2-7-17(15)18)21-12-19(23)14-5-4-6-16(20)10-14/h2-8,10-11,13,19,21-23H,9,12H2,1H3

>  <InChI Key>
AGWBMRMDTWHPJM-UHFFFAOYSA-N

