
 CHEMBL310238

 33 36  0  0  0  0  0  0  0  0999 V2000
   -3.0471   -1.2604   -0.3018 C   0  0  0  0  0
   -3.0977    0.2752   -0.3368 C   0  0  0  0  0
   -1.7239    0.6184   -0.0535 N   0  0  0  0  0
   -1.1518    1.8806    0.0226 C   0  0  0  0  0
    0.1828    2.0388    0.1250 C   0  0  0  0  0
    1.0535    0.8482    0.1354 C   0  0  0  0  0
    2.4417    0.9760    0.2435 C   0  0  0  0  0
    3.2539   -0.1632    0.2463 C   0  0  0  0  0
    2.6887   -1.4366    0.1405 C   0  0  0  0  0
    1.3061   -1.5811    0.0311 C   0  0  0  0  0
    0.4989   -0.4424    0.0299 C   0  0  0  0  0
   -0.9728   -0.5378   -0.0884 C   0  0  0  0  0
   -1.6131   -1.6703   -0.2406 N   0  0  0  0  0
   -2.0159    3.0723    0.0264 C   0  0  0  0  0
   -2.8114    3.3576    1.1459 C   0  0  0  0  0
   -3.6323    4.4889    1.1623 C   0  0  0  0  0
   -3.6626    5.3485    0.0638 C   0  0  0  0  0
   -2.8708    5.0783   -1.0514 C   0  0  0  0  0
   -2.0551    3.9488   -1.0637 C   0  0  0  0  0
   -1.3046    3.7158   -2.1512 F   0  0  0  0  0
   -3.5215   -1.6895   -1.1903 H   0  0  0  0  0
   -3.5642   -1.6469    0.5834 H   0  0  0  0  0
   -3.3971    0.6289   -1.3294 H   0  0  0  0  0
   -3.7975    0.6589    0.4119 H   0  0  0  0  0
    0.6469    3.0168    0.1951 H   0  0  0  0  0
    2.9039    1.9566    0.3235 H   0  0  0  0  0
    4.3330   -0.0571    0.3292 H   0  0  0  0  0
    3.3263   -2.3173    0.1415 H   0  0  0  0  0
    0.8610   -2.5689   -0.0540 H   0  0  0  0  0
   -2.7907    2.6983    2.0116 H   0  0  0  0  0
   -4.2457    4.7006    2.0352 H   0  0  0  0  0
   -4.3000    6.2292    0.0783 H   0  0  0  0  0
   -2.8813    5.7395   -1.9122 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4  5  2  0  0  0
  4 14  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  8  9  2  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 17  2  0  0  0
 16 31  1  0  0  0
 17 18  1  0  0  0
 17 32  1  0  0  0
 18 19  2  0  0  0
 18 33  1  0  0  0
 19 20  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL310238

>  <PubChem CID>
10015659

>  <Formula>
C17H13FN2

>  <Molecular Weight>
264.303000

>  <IUPAC Name>
5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN2C(=CC3=CC=CC=C3C2=N1)C4=CC=CC=C4F

>  <Isomeric SMILES>
C1CN2C(=CC3=CC=CC=C3C2=N1)C4=CC=CC=C4F

>  <InChI Std. ID>
InChI=1S/C17H13FN2/c18-15-8-4-3-7-14(15)16-11-12-5-1-2-6-13(12)17-19-9-10-20(16)17/h1-8,11H,9-10H2

>  <InChI Key>
CRASKXTVWBAFRS-UHFFFAOYSA-N

