
 CHEMBL114128

 30 30  0  0  0  0  0  0  0  0999 V2000
    1.4927    0.0303   -5.6556 C   0  0  0  0  0
    2.6329   -1.0194   -4.7852 P   0  0  0  0  0
    3.8564   -0.3187   -4.2812 O   0  0  0  0  0
    1.6947   -1.9205   -3.5607 C   0  0  0  0  0
    2.5424   -2.7070   -2.5489 C   0  0  0  0  0
    1.7064   -3.1356   -1.3193 C   0  0  0  0  0
    1.2392   -1.9927   -0.5309 N   0  0  0  0  0
    3.2280   -3.8947   -3.2132 C   0  0  0  0  0
    4.5673   -3.7744   -3.6225 C   0  0  0  0  0
    5.2168   -4.8296   -4.2689 C   0  0  0  0  0
    4.5345   -6.0188   -4.5047 C   0  0  0  0  0
    3.2083   -6.1602   -4.1048 C   0  0  0  0  0
    2.5551   -5.0997   -3.4701 C   0  0  0  0  0
    5.3300   -7.3179   -5.3030 Cl  0  0  0  0  0
    3.0267   -2.1115   -5.9029 O   0  0  0  0  0
    0.6460   -0.5485   -6.0323 H   0  0  0  0  0
    1.9844    0.5092   -6.5052 H   0  0  0  0  0
    1.1066    0.8109   -4.9956 H   0  0  0  0  0
    0.9718   -2.5742   -4.0641 H   0  0  0  0  0
    1.1065   -1.1629   -3.0291 H   0  0  0  0  0
    3.3319   -2.0390   -2.1754 H   0  0  0  0  0
    2.3015   -3.7863   -0.6678 H   0  0  0  0  0
    0.8265   -3.7072   -1.6328 H   0  0  0  0  0
    2.0448   -1.4917   -0.1542 H   0  0  0  0  0
    0.7239   -2.3358    0.2798 H   0  0  0  0  0
    5.1098   -2.8426   -3.4606 H   0  0  0  0  0
    6.2471   -4.7097   -4.5905 H   0  0  0  0  0
    2.6737   -7.0874   -4.2925 H   0  0  0  0  0
    1.5134   -5.2296   -3.1910 H   0  0  0  0  0
    3.7815   -1.8340   -6.4581 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2 15  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  5 21  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
M  END

>  <Chemical Name>
CHEMBL114128

>  <PubChem CID>
9813635

>  <Formula>
C10H15ClNO2P

>  <Molecular Weight>
247.659000

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

>  <XlogP>
-2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C10H15ClNO2P/c1-15(13,14)7-9(6-12)8-2-4-10(11)5-3-8/h2-5,9H,6-7,12H2,1H3,(H,13,14)

>  <InChI Key>
FPSHIRLRKJJOJC-UHFFFAOYSA-N

