
 CHEMBL334014

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.7022    1.3213    0.1255 C   0  0  0  0  0
   -0.5777    0.7316    0.6482 C   0  0  0  0  0
   -1.6615    0.2722   -0.2927 C   0  0  0  0  0
   -0.6389   -0.7179    0.2495 C   0  0  0  0  0
    0.6788   -1.0786   -0.4153 C   0  0  0  0  0
    1.6182    0.1128   -0.0859 C   0  0  0  0  0
    2.2623   -0.1372    1.0979 F   0  0  0  0  0
    0.6348   -1.2414   -1.9440 C   0  0  0  0  0
   -0.1004   -0.6770   -2.7373 O   0  0  0  0  0
    1.6174   -2.0508   -2.4151 O   0  0  0  0  0
    1.1438   -2.3469    0.2083 N   0  0  0  0  0
   -3.0633    0.2001    0.1747 C   0  0  0  0  0
   -3.4085   -0.1122    1.3024 O   0  0  0  0  0
   -3.9549    0.5285   -0.7764 O   0  0  0  0  0
    0.5201    1.8427   -0.8203 H   0  0  0  0  0
    1.1330    2.0254    0.8433 H   0  0  0  0  0
   -0.8071    0.9893    1.6737 H   0  0  0  0  0
   -1.5751    0.5915   -1.3255 H   0  0  0  0  0
   -0.9800   -1.4366    0.9870 H   0  0  0  0  0
    2.3909    0.3001   -0.8374 H   0  0  0  0  0
    1.4526   -2.0828   -3.3816 H   0  0  0  0  0
    1.5377   -2.1051    1.1223 H   0  0  0  0  0
    1.9429   -2.6779   -0.3398 H   0  0  0  0  0
   -4.8200    0.4303   -0.3270 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 21  1  0  0  0
 11 22  1  0  0  0
 11 23  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 24  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL334014

>  <PubChem CID>
9815616

>  <Formula>
C8H10FNO4

>  <Molecular Weight>
203.169000

>  <IUPAC Name>
(1S,2S,3S,5R,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

>  <XlogP>
-3.200

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C2C(C2C(C1F)(C(=O)O)N)C(=O)O

>  <Isomeric SMILES>
C1[C@H]2[C@@H]([C@H]2[C@@]([C@H]1F)(C(=O)O)N)C(=O)O

>  <InChI Std. ID>
InChI=1S/C8H10FNO4/c9-3-1-2-4(6(11)12)5(2)8(3,10)7(13)14/h2-5H,1,10H2,(H,11,12)(H,13,14)/t2-,3-,4-,5-,8-/m0/s1

>  <InChI Key>
DIWVNJFXRKZAGI-FJNNMDBYSA-N

