
 Lorcaserin

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.2060    0.1386    0.1611 C   0  0  0  0  0
    2.6719   -0.2070   -0.1192 C   0  0  0  0  0
    3.0329   -0.1652   -1.6197 C   0  0  0  0  0
    2.1922   -0.9588   -2.5206 N   0  0  0  0  0
    2.4107   -2.4005   -2.3745 C   0  0  0  0  0
    1.8619   -2.9968   -1.0755 C   0  0  0  0  0
    2.7530   -2.7743    0.1260 C   0  0  0  0  0
    3.1180   -1.4881    0.5686 C   0  0  0  0  0
    3.9533   -1.3735    1.7006 C   0  0  0  0  0
    4.4187   -2.5045    2.3672 C   0  0  0  0  0
    4.0537   -3.7713    1.9355 C   0  0  0  0  0
    3.2195   -3.9036    0.8250 C   0  0  0  0  0
    5.4574   -2.3303    3.7278 Cl  0  0  0  0  0
    0.9695    1.1361   -0.2260 H   0  0  0  0  0
    1.0042    0.1429    1.2379 H   0  0  0  0  0
    0.5058   -0.5628   -0.2989 H   0  0  0  0  0
    3.2525    0.6136    0.3277 H   0  0  0  0  0
    2.9344    0.8787   -1.9466 H   0  0  0  0  0
    4.0900   -0.4232   -1.7646 H   0  0  0  0  0
    2.4284   -0.7008   -3.4801 H   0  0  0  0  0
    3.4707   -2.6505   -2.5092 H   0  0  0  0  0
    1.8746   -2.8798   -3.2029 H   0  0  0  0  0
    0.8500   -2.6345   -0.8631 H   0  0  0  0  0
    1.7449   -4.0765   -1.2391 H   0  0  0  0  0
    4.2505   -0.3909    2.0611 H   0  0  0  0  0
    4.4112   -4.6575    2.4518 H   0  0  0  0  0
    2.9403   -4.9047    0.5020 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 26  1  0  0  0
 12 27  1  0  0  0
M  END

>  <Chemical Name>
Lorcaserin

>  <PubChem CID>
11658860

>  <Formula>
C11H14ClN

>  <Molecular Weight>
195.690000

>  <IUPAC Name>
(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1CNCCC2=C1C=C(C=C2)Cl

>  <Isomeric SMILES>
C[C@H]1CNCCC2=C1C=C(C=C2)Cl

>  <InChI Std. ID>
InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1

>  <InChI Key>
XTTZERNUQAFMOF-QMMMGPOBSA-N

