
 5-Chlorotryptamine

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.1954    0.9586   -0.0296 C   0  0  0  0  0
    0.9583    1.6096   -0.0299 C   0  0  0  0  0
   -0.1930    0.8123   -0.0164 C   0  0  0  0  0
   -0.1499   -0.5829   -0.0032 C   0  0  0  0  0
    1.1098   -1.2171   -0.0044 C   0  0  0  0  0
    2.2666   -0.4318   -0.0173 C   0  0  0  0  0
    3.8083   -1.2016   -0.0176 Cl  0  0  0  0  0
   -1.5025   -1.0545    0.0103 C   0  0  0  0  0
   -2.3149    0.0628    0.0041 C   0  0  0  0  0
   -1.5196    1.1757   -0.0117 N   0  0  0  0  0
   -1.9602   -2.4808    0.0289 C   0  0  0  0  0
   -2.1223   -3.0543   -1.3835 C   0  0  0  0  0
   -2.5602   -4.4509   -1.3501 N   0  0  0  0  0
    3.1070    1.5510   -0.0382 H   0  0  0  0  0
    0.8997    2.6933   -0.0385 H   0  0  0  0  0
    1.1787   -2.3000    0.0072 H   0  0  0  0  0
   -3.3930    0.1565    0.0113 H   0  0  0  0  0
   -1.8534    2.1298   -0.0169 H   0  0  0  0  0
   -2.9147   -2.5467    0.5672 H   0  0  0  0  0
   -1.2423   -3.0852    0.5979 H   0  0  0  0  0
   -1.1754   -2.9896   -1.9322 H   0  0  0  0  0
   -2.8602   -2.4679   -1.9430 H   0  0  0  0  0
   -1.8460   -5.0211   -0.8983 H   0  0  0  0  0
   -2.6371   -4.7983   -2.3056 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  3  4  2  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5 16  1  0  0  0
  6  7  1  0  0  0
  8  9  2  0  0  0
  8 11  1  0  0  0
  9 10  1  0  0  0
  9 17  1  0  0  0
 10 18  1  0  0  0
 11 12  1  0  0  0
 11 19  1  0  0  0
 11 20  1  0  0  0
 12 13  1  0  0  0
 12 21  1  0  0  0
 12 22  1  0  0  0
 13 23  1  0  0  0
 13 24  1  0  0  0
M  END

>  <Chemical Name>
5-Chlorotryptamine

>  <PubChem CID>
77379

>  <Formula>
C10H11ClN2

>  <Molecular Weight>
194.662000

>  <IUPAC Name>
2-(5-chloro-1H-indol-3-yl)ethanamine

>  <XlogP>
1.200

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1=CC2=C(C=C1Cl)C(=CN2)CCN

>  <Isomeric SMILES>
C1=CC2=C(C=C1Cl)C(=CN2)CCN

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

>  <InChI Key>
FVQKQPVVCKOWLM-UHFFFAOYSA-N

