
 pronethalol

 36 37  0  0  0  0  0  0  0  0999 V2000
    1.8641    3.5566    3.3068 C   0  0  0  0  0
    2.9619    2.6336    2.7707 C   0  0  0  0  0
    2.3232    1.4781    1.9973 C   0  0  0  0  0
    3.8652    3.4326    1.9312 N   0  0  0  0  0
    5.0847    2.7026    1.5462 C   0  0  0  0  0
    6.0710    3.5541    0.7062 C   0  0  0  0  0
    6.6265    4.7667    1.4266 C   0  0  0  0  0
    7.4045    4.6257    2.5878 C   0  0  0  0  0
    7.9454    5.7429    3.2459 C   0  0  0  0  0
    8.7228    5.6034    4.4070 C   0  0  0  0  0
    9.2599    6.7225    5.0451 C   0  0  0  0  0
    9.0278    7.9946    4.5306 C   0  0  0  0  0
    8.2555    8.1504    3.3782 C   0  0  0  0  0
    7.7068    7.0345    2.7259 C   0  0  0  0  0
    6.9289    7.1730    1.5666 C   0  0  0  0  0
    6.3948    6.0528    0.9249 C   0  0  0  0  0
    7.1656    2.7261    0.2950 O   0  0  0  0  0
    2.2891    4.3651    3.9129 H   0  0  0  0  0
    1.1663    3.0007    3.9436 H   0  0  0  0  0
    1.2865    4.0103    2.4928 H   0  0  0  0  0
    3.5095    2.2322    3.6321 H   0  0  0  0  0
    1.8350    1.8308    1.0815 H   0  0  0  0  0
    1.5642    0.9755    2.6076 H   0  0  0  0  0
    3.0625    0.7204    1.7191 H   0  0  0  0  0
    4.1445    4.2706    2.4462 H   0  0  0  0  0
    4.8247    1.8246    0.9431 H   0  0  0  0  0
    5.5959    2.3201    2.4391 H   0  0  0  0  0
    5.5625    3.8700   -0.2130 H   0  0  0  0  0
    7.6005    3.6274    2.9771 H   0  0  0  0  0
    8.9170    4.6176    4.8235 H   0  0  0  0  0
    9.8602    6.5996    5.9427 H   0  0  0  0  0
    9.4474    8.8668    5.0251 H   0  0  0  0  0
    8.0859    9.1525    2.9909 H   0  0  0  0  0
    6.7341    8.1595    1.1508 H   0  0  0  0  0
    5.7966    6.1952    0.0266 H   0  0  0  0  0
    7.9049    3.3215    0.0803 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6 17  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7 16  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 35  1  0  0  0
 17 36  1  0  0  0
M  END

>  <Chemical Name>
pronethalol

>  <PubChem CID>
4930

>  <Formula>
C15H19NO

>  <Molecular Weight>
229.323000

>  <IUPAC Name>
1-naphthalen-2-yl-2-(propan-2-ylamino)ethanol

>  <XlogP>
3.000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O

>  <Isomeric SMILES>
CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O

>  <InChI Std. ID>
InChI=1S/C15H19NO/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-17H,10H2,1-2H3

>  <InChI Key>
HRSANNODOVBCST-UHFFFAOYSA-N

