
 CHEMBL113305

 31 31  0  0  0  0  0  0  0  0999 V2000
   -2.5233   -4.1863   -0.6542 C   0  0  0  0  0
   -1.5159   -3.0471    0.2656 P   0  0  0  0  0
   -1.1324   -3.5165    1.6331 O   0  0  0  0  0
   -0.1901   -2.4259   -0.7338 C   0  0  0  0  0
    0.9666   -3.3937   -1.0365 C   0  0  0  0  0
    1.6841   -3.8992    0.2563 C   0  0  0  0  0
    2.2321   -2.7917    1.0600 N   0  0  0  0  0
    0.5295   -4.5001   -1.9980 C   0  0  0  0  0
    0.0599   -4.1574   -3.2831 C   0  0  0  0  0
   -0.3998   -5.1281   -4.1764 C   0  0  0  0  0
   -0.3772   -6.4675   -3.8072 C   0  0  0  0  0
    0.1087   -6.8401   -2.5581 C   0  0  0  0  0
    0.5591   -5.8646   -1.6604 C   0  0  0  0  0
   -0.9520   -7.6680   -4.8966 Cl  0  0  0  0  0
    1.9584   -2.6169   -1.7490 O   0  0  0  0  0
   -2.4916   -1.7643    0.3910 O   0  0  0  0  0
   -2.7158   -3.8181   -1.6643 H   0  0  0  0  0
   -3.4854   -4.3300   -0.1557 H   0  0  0  0  0
   -2.0462   -5.1663   -0.7258 H   0  0  0  0  0
    0.2099   -1.5353   -0.2323 H   0  0  0  0  0
   -0.6116   -2.0279   -1.6642 H   0  0  0  0  0
    2.5413   -4.5205   -0.0335 H   0  0  0  0  0
    1.0326   -4.5191    0.8785 H   0  0  0  0  0
    1.4620   -2.3728    1.5922 H   0  0  0  0  0
    2.8365   -3.1907    1.7824 H   0  0  0  0  0
    0.0594   -3.1150   -3.6020 H   0  0  0  0  0
   -0.7651   -4.8301   -5.1551 H   0  0  0  0  0
    0.1393   -7.8886   -2.2724 H   0  0  0  0  0
    0.9255   -6.2063   -0.6960 H   0  0  0  0  0
    2.4834   -2.1832   -1.0433 H   0  0  0  0  0
   -3.1901   -1.8715    1.0674 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2 16  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5 15  1  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
 10 11  2  0  0  0
 10 27  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 28  1  0  0  0
 13 29  1  0  0  0
 15 30  1  0  0  0
 16 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL113305

>  <PubChem CID>
10084142

>  <Formula>
C10H15ClNO3P

>  <Molecular Weight>
263.658000

>  <IUPAC Name>
[3-amino-2-(4-chlorophenyl)-2-hydroxypropyl]-methylphosphinic acid

>  <XlogP>
-3.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CP(=O)(CC(CN)(C1=CC=C(C=C1)Cl)O)O

>  <Isomeric SMILES>
CP(=O)(CC(CN)(C1=CC=C(C=C1)Cl)O)O

>  <InChI Std. ID>
InChI=1S/C10H15ClNO3P/c1-16(14,15)7-10(13,6-12)8-2-4-9(11)5-3-8/h2-5,13H,6-7,12H2,1H3,(H,14,15)

>  <InChI Key>
PFQOCXXLXHEBJJ-UHFFFAOYSA-N

