
 CHEMBL333519

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.8820    1.0711    0.1755 C   0  0  0  0  0
   -0.5363    1.5451    0.5047 C   0  0  0  0  0
   -1.4547    0.4246   -0.0267 C   0  0  0  0  0
   -0.6302   -0.8402    0.1405 C   0  0  0  0  0
    0.8072   -0.4219    0.3203 C   0  0  0  0  0
    0.4464   -1.3691   -0.7961 C   0  0  0  0  0
    0.5263   -1.0122   -2.2322 C   0  0  0  0  0
   -0.3241   -1.3048   -3.0582 O   0  0  0  0  0
    1.6671   -0.3834   -2.5843 O   0  0  0  0  0
    0.7960   -2.6989   -0.5308 F   0  0  0  0  0
   -1.8969    0.6937   -1.4797 C   0  0  0  0  0
   -1.3639    1.4483   -2.2791 O   0  0  0  0  0
   -2.9268   -0.0986   -1.8632 O   0  0  0  0  0
   -2.6574    0.3554    0.8274 N   0  0  0  0  0
    1.1655    1.3737   -0.8362 H   0  0  0  0  0
    1.6086    1.5050    0.8698 H   0  0  0  0  0
   -0.7489    2.5321    0.0809 H   0  0  0  0  0
   -0.6202    1.6321    1.5970 H   0  0  0  0  0
   -1.0472   -1.5613    0.8322 H   0  0  0  0  0
    1.3545   -0.8065    1.1701 H   0  0  0  0  0
    1.5649   -0.2284   -3.5464 H   0  0  0  0  0
   -3.0107    0.0758   -2.8242 H   0  0  0  0  0
   -2.4121    0.0382    1.7621 H   0  0  0  0  0
   -3.2894   -0.3405    0.4243 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4 19  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  6 10  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 21  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 22  1  0  0  0
 14 23  1  0  0  0
 14 24  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL333519

>  <PubChem CID>
9815617

>  <Formula>
C8H10FNO4

>  <Molecular Weight>
203.169000

>  <IUPAC Name>
(1R,2S,5R,6R)-2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

>  <XlogP>
-3.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC(C2C1C2(C(=O)O)F)(C(=O)O)N

>  <Isomeric SMILES>
C1C[C@]([C@H]2[C@@H]1[C@@]2(C(=O)O)F)(C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C8H10FNO4/c9-8(6(13)14)3-1-2-7(10,4(3)8)5(11)12/h3-4H,1-2,10H2,(H,11,12)(H,13,14)/t3-,4-,7+,8-/m1/s1

>  <InChI Key>
GLDRBCJXSGSXEU-JKBXLQNXSA-N

