
 CHEMBL131220

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.4158    1.4440   -0.0811 C   0  0  0  0  0
   -2.5385    0.6051   -0.6856 C   0  0  0  0  0
   -2.7116   -0.7196    0.0681 C   0  0  0  0  0
   -1.4100   -1.5409    0.0980 C   0  0  0  0  0
   -0.1348   -0.7309    0.1374 C   0  0  0  0  0
   -0.1293    0.6687    0.0173 C   0  0  0  0  0
    1.0940    1.3590    0.0202 C   0  0  0  0  0
    2.3040    0.6679    0.1016 C   0  0  0  0  0
    2.3018   -0.7201    0.1986 C   0  0  0  0  0
    1.0907   -1.4037    0.2199 C   0  0  0  0  0
    1.1072   -2.7419    0.3032 F   0  0  0  0  0
   -3.8917   -1.5476   -0.5235 C   0  0  0  0  0
   -5.0079   -1.5071    0.4706 N   0  0  0  0  0
   -4.4853   -0.9267    1.4999 C   0  0  0  0  0
   -3.2249   -0.4376    1.4046 N   0  0  0  0  0
   -1.6916    1.7915    0.9223 H   0  0  0  0  0
   -1.2710    2.3340   -0.7054 H   0  0  0  0  0
   -3.4670    1.1902   -0.6684 H   0  0  0  0  0
   -2.3115    0.3990   -1.7400 H   0  0  0  0  0
   -1.3554   -2.1502   -0.8142 H   0  0  0  0  0
   -1.4208   -2.2305    0.9524 H   0  0  0  0  0
    1.1098    2.4450   -0.0562 H   0  0  0  0  0
    3.2445    1.2120    0.0829 H   0  0  0  0  0
    3.2329   -1.2746    0.2516 H   0  0  0  0  0
   -3.6188   -2.5984   -0.6747 H   0  0  0  0  0
   -4.2389   -1.1490   -1.4824 H   0  0  0  0  0
   -4.9980   -0.7749    2.4648 H   0  0  0  0  0
   -2.6064   -0.4911    2.2063 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  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 12  1  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 10  2  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 12 13  1  0  0  0
 12 25  1  0  0  0
 12 26  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 27  1  0  0  0
 15 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL131220

>  <PubChem CID>
10081626

>  <Formula>
C12H13FN2

>  <Molecular Weight>
204.248000

>  <IUPAC Name>
5'-fluorospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC2(CC3=C1C=CC=C3F)CN=CN2

>  <Isomeric SMILES>
C1CC2(CC3=C1C=CC=C3F)CN=CN2

>  <InChI Std. ID>
InChI=1S/C12H13FN2/c13-11-3-1-2-9-4-5-12(6-10(9)11)7-14-8-15-12/h1-3,8H,4-7H2,(H,14,15)

>  <InChI Key>
HLTXXGYZKSNOBQ-UHFFFAOYSA-N

