
 CHEMBL504482

 22 22  0  0  0  0  0  0  0  0999 V2000
    4.4797    0.0372    0.8996 C   0  0  0  0  0
    2.9448   -0.0946   -0.0191 P   0  0  0  0  0
    2.2140    1.2159   -0.0357 O   0  0  0  0  0
    3.3690   -0.9882   -1.4286 C   0  0  0  0  0
    3.3377   -2.3131   -1.6295 C   0  0  0  0  0
    3.7835   -2.6827   -3.0065 C   0  0  0  0  0
    3.7613   -1.3365   -3.7562 C   0  0  0  0  0
    3.8498   -0.2670   -2.6515 C   0  0  0  0  0
    2.5317   -1.1693   -4.5452 N   0  0  0  0  0
    2.1136   -1.1161    0.9215 O   0  0  0  0  0
    4.9408   -0.9451    1.0389 H   0  0  0  0  0
    4.2931    0.4706    1.8864 H   0  0  0  0  0
    5.1870    0.6812    0.3692 H   0  0  0  0  0
    3.0321   -3.0356   -0.8835 H   0  0  0  0  0
    4.7961   -3.0994   -2.9729 H   0  0  0  0  0
    3.1204   -3.4270   -3.4590 H   0  0  0  0  0
    4.6101   -1.2579   -4.4437 H   0  0  0  0  0
    3.2406    0.6159   -2.8723 H   0  0  0  0  0
    4.8859    0.0596   -2.5069 H   0  0  0  0  0
    1.7263   -1.2034   -3.9176 H   0  0  0  0  0
    2.4223   -1.9589   -5.1800 H   0  0  0  0  0
    1.6311   -0.6357    1.6231 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 10  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  6 15  1  0  0  0
  6 16  1  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  7 17  1  0  0  0
  8 18  1  0  0  0
  8 19  1  0  0  0
  9 20  1  0  0  0
  9 21  1  0  0  0
 10 22  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL504482

>  <PubChem CID>
11701095

>  <Formula>
C6H12NO2P

>  <Molecular Weight>
161.141000

>  <IUPAC Name>
(4-aminocyclopenten-1-yl)-methylphosphinic acid

>  <XlogP>
-3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CP(=O)(C1=CCC(C1)N)O

>  <Isomeric SMILES>
CP(=O)(C1=CCC(C1)N)O

>  <InChI Std. ID>
InChI=1S/C6H12NO2P/c1-10(8,9)6-3-2-5(7)4-6/h3,5H,2,4,7H2,1H3,(H,8,9)

>  <InChI Key>
COSQDVKDGWGBPW-UHFFFAOYSA-N

