
 Bufotenine

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.6127   -0.8244   -2.8434 C   0  0  0  0  0
    3.8238   -0.4163   -1.4512 N   0  0  0  0  0
    4.6420   -1.4172   -0.7637 C   0  0  0  0  0
    4.4453    0.9255   -1.4147 C   0  0  0  0  0
    4.5556    1.5278   -0.0025 C   0  0  0  0  0
    5.0874    2.9297   -0.0271 C   0  0  0  0  0
    4.3377    4.0892   -0.0465 C   0  0  0  0  0
    5.1945    5.1559   -0.0582 N   0  0  0  0  0
    6.4989    4.7205   -0.0461 C   0  0  0  0  0
    6.4645    3.3252   -0.0284 C   0  0  0  0  0
    7.6871    2.6238   -0.0145 C   0  0  0  0  0
    8.8824    3.3435   -0.0155 C   0  0  0  0  0
    8.8944    4.7340   -0.0310 C   0  0  0  0  0
    7.6944    5.4510   -0.0476 C   0  0  0  0  0
   10.0460    2.6282    0.0006 O   0  0  0  0  0
    2.9577   -0.1140   -3.3596 H   0  0  0  0  0
    3.1114   -1.7978   -2.8876 H   0  0  0  0  0
    4.5540   -0.8955   -3.4004 H   0  0  0  0  0
    4.1927   -2.4124   -0.8578 H   0  0  0  0  0
    4.6944   -1.2142    0.3102 H   0  0  0  0  0
    5.6615   -1.4630   -1.1624 H   0  0  0  0  0
    3.8295    1.6081   -2.0175 H   0  0  0  0  0
    5.4362    0.9025   -1.8891 H   0  0  0  0  0
    5.2141    0.9187    0.6268 H   0  0  0  0  0
    3.5691    1.5232    0.4783 H   0  0  0  0  0
    3.2665    4.2422   -0.0511 H   0  0  0  0  0
    4.9144    6.1266   -0.0704 H   0  0  0  0  0
    7.7061    1.5389   -0.0001 H   0  0  0  0  0
    9.8310    5.2836   -0.0304 H   0  0  0  0  0
    7.6945    6.5362   -0.0594 H   0  0  0  0  0
   10.7904    3.2513    0.0104 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6 10  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 29  1  0  0  0
 14 30  1  0  0  0
 15 31  1  0  0  0
M  END

>  <Chemical Name>
Bufotenine

>  <PubChem CID>
10257

>  <Formula>
C12H16N2O

>  <Molecular Weight>
204.273000

>  <IUPAC Name>
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol

>  <XlogP>
1.200

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)CCC1=CNC2=C1C=C(C=C2)O

>  <Isomeric SMILES>
CN(C)CCC1=CNC2=C1C=C(C=C2)O

>  <InChI Std. ID>
InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3

>  <InChI Key>
VTTONGPRPXSUTJ-UHFFFAOYSA-N

