
 SCHEMBL6360421

 30 29  0  0  0  0  0  0  0  0999 V2000
    4.0203    1.6271   -3.3287 C   0  0  0  0  0
    3.2522    0.8648   -2.2591 C   0  0  0  0  0
    4.1208    0.4266   -1.0805 C   0  0  0  0  0
    4.0285    1.3121    0.1639 C   0  0  0  0  0
    4.7458    0.6231    1.2093 O   0  0  0  0  0
    4.7663    2.9485    0.0551 P   0  0  0  0  0
    4.1688    3.8975   -0.9400 O   0  0  0  0  0
    4.8406    3.6268    1.7133 C   0  0  0  0  0
    5.2809    5.0875    1.8072 C   0  0  0  0  0
    6.7587    5.3365    1.4984 C   0  0  0  0  0
    7.1042    5.0513    0.1036 N   0  0  0  0  0
    6.3184    2.6123   -0.2645 O   0  0  0  0  0
    3.3698    1.8282   -4.1846 H   0  0  0  0  0
    4.8765    1.0474   -3.6863 H   0  0  0  0  0
    4.3927    2.5843   -2.9638 H   0  0  0  0  0
    2.8491   -0.0384   -2.7369 H   0  0  0  0  0
    2.3895    1.4484   -1.9194 H   0  0  0  0  0
    5.1682    0.3202   -1.3886 H   0  0  0  0  0
    3.8061   -0.5840   -0.7861 H   0  0  0  0  0
    2.9889    1.4018    0.4931 H   0  0  0  0  0
    5.6886    0.6533    0.9429 H   0  0  0  0  0
    5.4823    3.0016    2.3436 H   0  0  0  0  0
    3.8284    3.5555    2.1285 H   0  0  0  0  0
    5.0898    5.4360    2.8299 H   0  0  0  0  0
    4.6577    5.7015    1.1460 H   0  0  0  0  0
    7.3891    4.7256    2.1531 H   0  0  0  0  0
    6.9911    6.3867    1.7061 H   0  0  0  0  0
    6.4704    5.5907   -0.5033 H   0  0  0  0  0
    8.0310    5.4482   -0.0826 H   0  0  0  0  0
    6.8423    3.4619   -0.2661 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  5 21  1  0  0  0
  6 12  1  0  0  0
  6  8  1  0  0  0
  6  7  2  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 11  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL6360421

>  <PubChem CID>
9815542

>  <Formula>
C7H18NO3P

>  <Molecular Weight>
195.199000

>  <IUPAC Name>
3-aminopropyl(1-hydroxybutyl)phosphinic acid

>  <XlogP>
-3.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCC(O)P(=O)(CCCN)O

>  <Isomeric SMILES>
CCCC(O)P(=O)(CCCN)O

>  <InChI Std. ID>
InChI=1S/C7H18NO3P/c1-2-4-7(9)12(10,11)6-3-5-8/h7,9H,2-6,8H2,1H3,(H,10,11)

>  <InChI Key>
JHHAERSMXJEIIR-UHFFFAOYSA-N

