
 CHEMBL3427499

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.2979    1.0149   -0.3387 C   0  0  0  0  0
   -0.7026   -0.0198    0.0989 C   0  0  0  0  0
    0.6146   -0.4531   -0.5233 C   0  0  0  0  0
    0.5980   -1.0190   -1.9111 C   0  0  0  0  0
    1.2727   -0.5868   -2.8323 O   0  0  0  0  0
   -0.1603   -2.1256   -2.0351 O   0  0  0  0  0
    1.6986   -1.0170    0.3289 N   0  0  0  0  0
   -0.9754   -0.1983    1.5564 C   0  0  0  0  0
   -1.7883   -1.7510    1.8486 P   0  0  0  0  0
   -2.1710   -2.0285    3.2650 O   0  0  0  0  0
   -3.0259   -1.8320    0.8320 O   0  0  0  0  0
   -0.8483   -2.9011    1.2436 O   0  0  0  0  0
   -1.8336   -0.0986   -0.7157 F   0  0  0  0  0
    0.0586    1.6013   -1.2188 H   0  0  0  0  0
    0.8423    1.5650    0.4191 H   0  0  0  0  0
   -0.0329   -2.3956   -2.9706 H   0  0  0  0  0
    1.5398   -2.0229    0.4418 H   0  0  0  0  0
    2.5926   -0.9326   -0.1603 H   0  0  0  0  0
   -1.6303    0.6120    1.8932 H   0  0  0  0  0
   -0.0638   -0.1419    2.1598 H   0  0  0  0  0
   -2.9127   -1.3175    0.0047 H   0  0  0  0  0
   -1.2118   -3.7786    1.4750 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
  2  8  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 16  1  0  0  0
  7 17  1  0  0  0
  7 18  1  0  0  0
  8  9  1  0  0  0
  8 19  1  0  0  0
  8 20  1  0  0  0
  9 12  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 21  1  0  0  0
 12 22  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3427499

>  <PubChem CID>
57519364

>  <Formula>
C5H9FNO5P

>  <Molecular Weight>
213.101000

>  <IUPAC Name>
1-amino-2-fluoro-2-(phosphonomethyl)cyclopropane-1-carboxylic acid

>  <XlogP>
-5.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1C(C1(C(=O)O)N)(CP(=O)(O)O)F

>  <Isomeric SMILES>
C1C(C1(C(=O)O)N)(CP(=O)(O)O)F

>  <InChI Std. ID>
InChI=1S/C5H9FNO5P/c6-4(2-13(10,11)12)1-5(4,7)3(8)9/h1-2,7H2,(H,8,9)(H2,10,11,12)

>  <InChI Key>
VHMPIZVLCHCGBT-UHFFFAOYSA-N

