
 pindolol

 38 39  0  0  0  0  0  0  0  0999 V2000
    5.0542   -1.3468   -2.7625 C   0  0  0  0  0
    5.4577   -0.9849   -1.3306 C   0  0  0  0  0
    6.9684   -1.1629   -1.1626 C   0  0  0  0  0
    5.0000    0.3820   -1.0669 N   0  0  0  0  0
    5.2029    0.8195    0.3201 C   0  0  0  0  0
    4.7518    2.2856    0.4952 C   0  0  0  0  0
    4.8309    2.7189    1.9673 C   0  0  0  0  0
    6.1866    2.5798    2.4153 O   0  0  0  0  0
    6.4389    2.9825    3.7027 C   0  0  0  0  0
    5.5127    2.8750    4.7520 C   0  0  0  0  0
    5.8420    3.2670    6.0512 C   0  0  0  0  0
    7.1063    3.7743    6.3542 C   0  0  0  0  0
    8.0302    3.8644    5.3097 C   0  0  0  0  0
    7.7309    3.4781    4.0000 C   0  0  0  0  0
    8.9087    3.7045    3.2280 C   0  0  0  0  0
    9.8764    4.2155    4.0658 C   0  0  0  0  0
    9.3336    4.3081    5.3199 N   0  0  0  0  0
    5.5881    3.1406   -0.3035 O   0  0  0  0  0
    3.9666   -1.3032   -2.8868 H   0  0  0  0  0
    5.3736   -2.3652   -3.0104 H   0  0  0  0  0
    5.5068   -0.6670   -3.4930 H   0  0  0  0  0
    4.9411   -1.6776   -0.6551 H   0  0  0  0  0
    7.5271   -0.4225   -1.7466 H   0  0  0  0  0
    7.2808   -2.1580   -1.4960 H   0  0  0  0  0
    7.2700   -1.0698   -0.1145 H   0  0  0  0  0
    5.4629    1.0506   -1.6869 H   0  0  0  0  0
    6.2653    0.7513    0.5767 H   0  0  0  0  0
    4.6335    0.1734    0.9971 H   0  0  0  0  0
    3.7224    2.4090    0.1398 H   0  0  0  0  0
    4.1580    2.0808    2.5486 H   0  0  0  0  0
    4.5316    3.7704    2.0576 H   0  0  0  0  0
    4.5224    2.4629    4.5906 H   0  0  0  0  0
    5.1034    3.1672    6.8430 H   0  0  0  0  0
    7.3585    4.0746    7.3666 H   0  0  0  0  0
    9.0275    3.5124    2.1719 H   0  0  0  0  0
   10.8966    4.5183    3.8776 H   0  0  0  0  0
    9.8165    4.6495    6.1399 H   0  0  0  0  0
    6.4464    3.1816    0.1599 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  4  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6 18  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 11 12  2  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 13 17  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 37  1  0  0  0
 18 38  1  0  0  0
M  END

>  <Chemical Name>
pindolol

>  <PubChem CID>
4828

>  <Formula>
C14H20N2O2

>  <Molecular Weight>
248.326000

>  <IUPAC Name>
1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol

>  <XlogP>
1.800

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=CC2=C1C=CN2)O

>  <Isomeric SMILES>
CC(C)NCC(COC1=CC=CC2=C1C=CN2)O

>  <InChI Std. ID>
InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3

>  <InChI Key>
JZQKKSLKJUAGIC-UHFFFAOYSA-N

