
 CHEMBL112460

 39 39  0  0  0  0  0  0  0  0999 V2000
   -2.1663    0.7553   -0.7492 C   0  0  0  0  0
   -2.9856   -0.4696   -0.3543 C   0  0  0  0  0
   -2.6528   -1.6843   -1.2218 C   0  0  0  0  0
   -1.1448   -2.0063   -1.2631 C   0  0  0  0  0
   -0.3652   -0.7482   -1.6775 C   0  0  0  0  0
   -0.6710    0.4569   -0.7917 C   0  0  0  0  0
   -0.6880   -2.6260    0.0742 C   0  0  0  0  0
    0.7946   -2.9638    0.1999 C   0  0  0  0  0
    1.5011   -4.1745   -0.9023 P   0  0  0  0  0
    2.8936   -4.5873   -0.5288 O   0  0  0  0  0
    0.3754   -5.5518   -1.0723 C   0  0  0  0  0
    0.9543   -6.7939   -1.7512 C   0  0  0  0  0
    1.2547   -6.6365   -3.2432 C   0  0  0  0  0
    2.3073   -5.6559   -3.5143 N   0  0  0  0  0
    1.4712   -3.4767   -2.3545 O   0  0  0  0  0
   -2.4934    1.1047   -1.7360 H   0  0  0  0  0
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   -4.0536   -0.2378   -0.4446 H   0  0  0  0  0
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   -3.2181   -2.5547   -0.8668 H   0  0  0  0  0
   -2.9989   -1.4874   -2.2452 H   0  0  0  0  0
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    0.7126   -0.9340   -1.6873 H   0  0  0  0  0
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    1.3945   -2.0492    0.1466 H   0  0  0  0  0
   -0.5332   -5.2314   -1.5938 H   0  0  0  0  0
    0.0685   -5.8418   -0.0597 H   0  0  0  0  0
    0.2331   -7.6126   -1.6377 H   0  0  0  0  0
    1.8648   -7.1052   -1.2243 H   0  0  0  0  0
    0.3482   -6.3416   -3.7812 H   0  0  0  0  0
    1.5711   -7.6068   -3.6412 H   0  0  0  0  0
    3.1183   -5.8708   -2.9161 H   0  0  0  0  0
    2.6480   -5.8031   -4.4696 H   0  0  0  0  0
    1.8412   -4.1059   -3.0297 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 15  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
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 11 32  1  0  0  0
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 12 33  1  0  0  0
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 15 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL112460

>  <PubChem CID>
10105390

>  <Formula>
C11H24NO2P

>  <Molecular Weight>
233.292000

>  <IUPAC Name>
3-aminopropyl(2-cyclohexylethyl)phosphinic acid

>  <XlogP>
-0.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(CC1)CCP(=O)(CCCN)O

>  <Isomeric SMILES>
C1CCC(CC1)CCP(=O)(CCCN)O

>  <InChI Std. ID>
InChI=1S/C11H24NO2P/c12-8-4-9-15(13,14)10-7-11-5-2-1-3-6-11/h11H,1-10,12H2,(H,13,14)

>  <InChI Key>
CEQJXYWPENAXQN-UHFFFAOYSA-N

