
 CHEMBL111890

 26 25  0  0  0  0  0  0  0  0999 V2000
    0.8283    0.0549    0.0101 C   0  0  0  0  0
    2.3443    0.0261    0.1062 C   0  0  0  0  0
    2.9530    1.3784   -0.2376 C   0  0  0  0  0
    4.7351    1.4327   -0.1038 P   0  0  0  0  0
    5.2741    1.0713    1.2446 O   0  0  0  0  0
    5.4268    0.5331   -1.4800 C   0  0  0  0  0
    6.9466    0.3996   -1.4819 C   0  0  0  0  0
    7.6594    1.7452   -1.5979 C   0  0  0  0  0
    9.0974    1.5385   -1.7389 N   0  0  0  0  0
    5.0614    2.9776   -0.4398 O   0  0  0  0  0
    0.4121   -0.9263    0.2607 H   0  0  0  0  0
    0.5043    0.3123   -1.0038 H   0  0  0  0  0
    0.4051    0.7898    0.7024 H   0  0  0  0  0
    2.7386   -0.7404   -0.5698 H   0  0  0  0  0
    2.6422   -0.2640    1.1199 H   0  0  0  0  0
    2.5426    2.1407    0.4346 H   0  0  0  0  0
    2.6687    1.6654   -1.2567 H   0  0  0  0  0
    5.0910    0.9915   -2.4163 H   0  0  0  0  0
    5.0053   -0.4776   -1.4614 H   0  0  0  0  0
    7.2354   -0.2450   -2.3215 H   0  0  0  0  0
    7.2664   -0.1070   -0.5626 H   0  0  0  0  0
    7.4834    2.3550   -0.7071 H   0  0  0  0  0
    7.2904    2.2967   -2.4687 H   0  0  0  0  0
    9.4525    1.0699   -0.9058 H   0  0  0  0  0
    9.5611    2.4457   -1.7675 H   0  0  0  0  0
    4.9312    3.5673    0.3306 H   0  0  0  0  0
  1  2  1  0  0  0
  1 11  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  4  1  0  0  0
  3 16  1  0  0  0
  3 17  1  0  0  0
  4 10  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 18  1  0  0  0
  6 19  1  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 24  1  0  0  0
  9 25  1  0  0  0
 10 26  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL111890

>  <PubChem CID>
9920471

>  <Formula>
C6H16NO2P

>  <Molecular Weight>
165.173000

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

>  <XlogP>
-3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCP(=O)(CCCN)O

>  <Isomeric SMILES>
CCCP(=O)(CCCN)O

>  <InChI Std. ID>
InChI=1S/C6H16NO2P/c1-2-5-10(8,9)6-3-4-7/h2-7H2,1H3,(H,8,9)

>  <InChI Key>
FOYYKMGSECQQRD-UHFFFAOYSA-N

