
 serotonin

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.2112    0.8113   -0.0175 C   0  0  0  0  0
    1.0003    1.5104   -0.0448 C   0  0  0  0  0
   -0.1841    0.7619   -0.0407 C   0  0  0  0  0
   -0.1973   -0.6335   -0.0117 C   0  0  0  0  0
    1.0358   -1.3164    0.0133 C   0  0  0  0  0
    2.2198   -0.5785    0.0108 C   0  0  0  0  0
    3.3938   -1.2763    0.0378 O   0  0  0  0  0
   -1.5681   -1.0502   -0.0151 C   0  0  0  0  0
   -2.3349    0.0986   -0.0457 C   0  0  0  0  0
   -1.4949    1.1782   -0.0604 N   0  0  0  0  0
   -2.0804   -2.4573    0.0096 C   0  0  0  0  0
   -2.2329   -3.0406   -1.4000 C   0  0  0  0  0
   -2.7186   -4.4216   -1.3625 N   0  0  0  0  0
    3.1393    1.3751   -0.0189 H   0  0  0  0  0
    0.9845    2.5952   -0.0661 H   0  0  0  0  0
    1.0711   -2.4004    0.0379 H   0  0  0  0  0
    4.1289   -0.6422    0.0473 H   0  0  0  0  0
   -3.4084    0.2354   -0.0569 H   0  0  0  0  0
   -1.7892    2.1443   -0.0808 H   0  0  0  0  0
   -3.0482   -2.4812    0.5269 H   0  0  0  0  0
   -1.3986   -3.0817    0.6007 H   0  0  0  0  0
   -1.2732   -3.0137   -1.9295 H   0  0  0  0  0
   -2.9388   -2.4354   -1.9808 H   0  0  0  0  0
   -2.0343   -5.0070   -0.8845 H   0  0  0  0  0
   -2.7773   -4.7775   -2.3161 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
  7 17  1  0  0  0
  8  9  2  0  0  0
  8 11  1  0  0  0
  9 10  1  0  0  0
  9 18  1  0  0  0
 10 19  1  0  0  0
 11 12  1  0  0  0
 11 20  1  0  0  0
 11 21  1  0  0  0
 12 13  1  0  0  0
 12 22  1  0  0  0
 12 23  1  0  0  0
 13 24  1  0  0  0
 13 25  1  0  0  0
M  END

>  <Chemical Name>
serotonin

>  <PubChem CID>
5202

>  <Formula>
C10H12N2O

>  <Molecular Weight>
176.219000

>  <IUPAC Name>
3-(2-aminoethyl)-1H-indol-5-ol

>  <XlogP>
0.200

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC2=C(C=C1O)C(=CN2)CCN

>  <Isomeric SMILES>
C1=CC2=C(C=C1O)C(=CN2)CCN

>  <InChI Std. ID>
InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2

>  <InChI Key>
QZAYGJVTTNCVMB-UHFFFAOYSA-N

