
 practolol

 41 41  0  0  0  0  0  0  0  0999 V2000
    8.9186    2.6738    2.4379 C   0  0  0  0  0
    7.9274    1.6782    1.8303 C   0  0  0  0  0
    7.4861    0.6758    2.8983 C   0  0  0  0  0
    6.7913    2.4360    1.2941 N   0  0  0  0  0
    5.8800    1.6184    0.4798 C   0  0  0  0  0
    4.7895    2.4885   -0.1687 C   0  0  0  0  0
    3.9216    3.2135    0.8697 C   0  0  0  0  0
    2.8720    3.8731    0.1451 O   0  0  0  0  0
    1.7457    4.1797    0.8542 C   0  0  0  0  0
    1.6680    4.3333    2.2360 C   0  0  0  0  0
    0.4360    4.6255    2.8385 C   0  0  0  0  0
   -0.7257    4.7689    2.0680 C   0  0  0  0  0
   -0.6279    4.6494    0.6830 C   0  0  0  0  0
    0.6011    4.3637    0.0819 C   0  0  0  0  0
   -1.9329    5.0353    2.7496 N   0  0  0  0  0
   -3.2009    5.1091    2.2029 C   0  0  0  0  0
   -3.5101    4.9167    1.0305 O   0  0  0  0  0
   -4.2656    5.4492    3.2151 C   0  0  0  0  0
    5.4047    3.4461   -1.0480 O   0  0  0  0  0
    9.2882    3.3741    1.6803 H   0  0  0  0  0
    9.7865    2.1515    2.8550 H   0  0  0  0  0
    8.4590    3.2578    3.2437 H   0  0  0  0  0
    8.4410    1.1442    1.0212 H   0  0  0  0  0
    6.8886    1.1606    3.6788 H   0  0  0  0  0
    8.3546    0.2144    3.3806 H   0  0  0  0  0
    6.8888   -0.1340    2.4672 H   0  0  0  0  0
    7.1374    3.1819    0.6806 H   0  0  0  0  0
    5.3980    0.8488    1.0912 H   0  0  0  0  0
    6.4508    1.1251   -0.3162 H   0  0  0  0  0
    4.1527    1.8545   -0.7976 H   0  0  0  0  0
    4.5003    3.9786    1.3995 H   0  0  0  0  0
    3.5152    2.4795    1.5760 H   0  0  0  0  0
    2.5453    4.2378    2.8684 H   0  0  0  0  0
    0.4025    4.7299    3.9195 H   0  0  0  0  0
   -1.4873    4.7764    0.0336 H   0  0  0  0  0
    0.6561    4.2709   -0.9992 H   0  0  0  0  0
   -1.8580    5.1396    3.7530 H   0  0  0  0  0
   -3.8451    5.6912    4.1944 H   0  0  0  0  0
   -4.9399    4.5953    3.3238 H   0  0  0  0  0
   -4.8264    6.3181    2.8590 H   0  0  0  0  0
    4.6844    4.0459   -1.3224 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6 19  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  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 33  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 35  1  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
 19 41  1  0  0  0
M  END

>  <Chemical Name>
practolol

>  <PubChem CID>
4883

>  <Formula>
C14H22N2O3

>  <Molecular Weight>
266.341000

>  <IUPAC Name>
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide

>  <XlogP>
0.800

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O

>  <Isomeric SMILES>
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O

>  <InChI Std. ID>
InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)

>  <InChI Key>
DURULFYMVIFBIR-UHFFFAOYSA-N

