
 7-OH-DPAT

 43 44  0  0  0  0  0  0  0  0999 V2000
    2.9589    0.7910   -3.4235 C   0  0  0  0  0
    3.8509    1.1795   -2.2488 C   0  0  0  0  0
    3.0036    1.5525   -1.0242 C   0  0  0  0  0
    3.7722    1.9641    0.1719 N   0  0  0  0  0
    2.8726    2.1273    1.3391 C   0  0  0  0  0
    2.1196    0.8700    1.8043 C   0  0  0  0  0
    3.0447   -0.2799    2.1685 C   0  0  0  0  0
    4.6169    3.1785   -0.0714 C   0  0  0  0  0
    5.4799    3.5723    1.1479 C   0  0  0  0  0
    6.4013    4.7414    0.8079 C   0  0  0  0  0
    5.5981    5.9367    0.3721 C   0  0  0  0  0
    4.4071    5.7610   -0.3500 C   0  0  0  0  0
    3.8435    4.3958   -0.6517 C   0  0  0  0  0
    3.6783    6.8874   -0.7606 C   0  0  0  0  0
    4.1178    8.1633   -0.4368 C   0  0  0  0  0
    5.2940    8.3480    0.2786 C   0  0  0  0  0
    6.0394    7.2337    0.6711 C   0  0  0  0  0
    3.3508    9.2181   -0.8339 O   0  0  0  0  0
    3.5666    0.4558   -4.2678 H   0  0  0  0  0
    2.3629    1.6470   -3.7533 H   0  0  0  0  0
    2.2757   -0.0181   -3.1514 H   0  0  0  0  0
    4.4853    2.0107   -2.5720 H   0  0  0  0  0
    4.5096    0.3384   -1.9998 H   0  0  0  0  0
    2.4246    0.6533   -0.7873 H   0  0  0  0  0
    2.2716    2.3219   -1.2997 H   0  0  0  0  0
    2.1329    2.9152    1.1508 H   0  0  0  0  0
    3.4498    2.4435    2.2131 H   0  0  0  0  0
    1.3907    0.5430    1.0552 H   0  0  0  0  0
    1.5341    1.1366    2.6927 H   0  0  0  0  0
    3.6033   -0.6375    1.2978 H   0  0  0  0  0
    2.4612   -1.1197    2.5617 H   0  0  0  0  0
    3.7607    0.0224    2.9390 H   0  0  0  0  0
    5.3590    2.8902   -0.8294 H   0  0  0  0  0
    6.0847    2.7156    1.4708 H   0  0  0  0  0
    4.8583    3.8758    1.9969 H   0  0  0  0  0
    7.0988    4.4668    0.0070 H   0  0  0  0  0
    6.9968    4.9884    1.6949 H   0  0  0  0  0
    2.8155    4.3987   -0.2718 H   0  0  0  0  0
    3.7797    4.2828   -1.7400 H   0  0  0  0  0
    2.7503    6.7705   -1.3159 H   0  0  0  0  0
    5.6447    9.3401    0.5408 H   0  0  0  0  0
    6.9616    7.3822    1.2301 H   0  0  0  0  0
    3.7556   10.0344   -0.5020 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 17  1  0  0  0
 11 12  2  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 13 38  1  0  0  0
 13 39  1  0  0  0
 14 15  2  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 41  1  0  0  0
 17 42  1  0  0  0
 18 43  1  0  0  0
M  END

>  <Chemical Name>
7-OH-DPAT

>  <PubChem CID>
1219

>  <Formula>
C16H25NO

>  <Molecular Weight>
247.382000

>  <IUPAC Name>
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)C1CCC2=C(C1)C=C(C=C2)O

>  <Isomeric SMILES>
CCCN(CCC)C1CCC2=C(C1)C=C(C=C2)O

>  <InChI Std. ID>
InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3

>  <InChI Key>
BLYMJBIZMIGWFK-UHFFFAOYSA-N

