
 CHEMBL112291

 28 27  0  0  0  0  0  0  0  0999 V2000
    0.8262   -0.5404    0.8461 C   0  0  0  0  0
   -0.0433    0.3604    1.7171 C   0  0  0  0  0
   -1.2694   -0.3161    2.1218 N   0  0  0  0  0
    2.2167    0.0353    0.5985 C   0  0  0  0  0
    2.3165    1.5021   -0.4143 P   0  0  0  0  0
    1.4622    1.4827   -1.6445 O   0  0  0  0  0
    2.1046    2.9503    0.6126 C   0  0  0  0  0
    2.0375    4.2852   -0.1303 C   0  0  0  0  0
    3.3833    4.7979   -0.6430 C   0  0  0  0  0
    3.9264    3.9693   -1.7210 N   0  0  0  0  0
    3.8889    1.5530   -0.7753 O   0  0  0  0  0
    0.9457   -1.5168    1.3325 H   0  0  0  0  0
    0.3259   -0.7190   -0.1133 H   0  0  0  0  0
   -0.3222    1.2630    1.1671 H   0  0  0  0  0
    0.5025    0.6693    2.6149 H   0  0  0  0  0
   -1.7936   -0.5973    1.2928 H   0  0  0  0  0
   -1.0416   -1.1808    2.6127 H   0  0  0  0  0
    2.7985   -0.7404    0.0852 H   0  0  0  0  0
    2.7236    0.2182    1.5523 H   0  0  0  0  0
    2.8904    2.9790    1.3751 H   0  0  0  0  0
    1.1607    2.8420    1.1524 H   0  0  0  0  0
    1.6367    5.0383    0.5599 H   0  0  0  0  0
    1.3248    4.2112   -0.9609 H   0  0  0  0  0
    4.1068    4.8390    0.1783 H   0  0  0  0  0
    3.2561    5.8197   -1.0176 H   0  0  0  0  0
    4.7473    4.4496   -2.1052 H   0  0  0  0  0
    3.2488    3.9655   -2.4951 H   0  0  0  0  0
    4.1090    2.3919   -1.2634 H   0  0  0  0  0
  1  4  1  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  2 15  1  0  0  0
  3 16  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5 11  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 20  1  0  0  0
  7 21  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 11 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL112291

>  <PubChem CID>
15134818

>  <Formula>
C6H17N2O2P

>  <Molecular Weight>
180.188000

>  <IUPAC Name>
bis(3-aminopropyl)phosphinic acid

>  <XlogP>
-4.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C(CN)CP(=O)(CCCN)O

>  <Isomeric SMILES>
C(CN)CP(=O)(CCCN)O

>  <InChI Std. ID>
InChI=1S/C6H17N2O2P/c7-3-1-5-11(9,10)6-2-4-8/h1-8H2,(H,9,10)

>  <InChI Key>
PFPZWHLJDGSPSV-UHFFFAOYSA-N

