
 CHEMBL61879

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.3147    1.5258   -1.8298 C   0  0  0  0  0
    0.7355    1.8230   -0.4017 C   0  0  0  0  0
    1.9626    2.6026   -0.3331 N   0  0  0  0  0
    3.2310    2.0572   -0.2837 C   0  0  0  0  0
    4.1261    3.1144   -0.1337 C   0  0  0  0  0
    5.5054    2.8251   -0.0173 C   0  0  0  0  0
    5.9590    1.4961   -0.0487 C   0  0  0  0  0
    5.0388    0.4670   -0.2279 C   0  0  0  0  0
    3.6671    0.7256   -0.3491 C   0  0  0  0  0
    7.3436    1.2908    0.1230 N   0  0  0  0  0
    8.0326    0.0764    0.1788 C   0  0  0  0  0
    7.5276   -1.0375    0.0407 O   0  0  0  0  0
    9.5390    0.2667    0.4476 C   0  0  0  0  0
    9.9469   -0.3310    1.5988 F   0  0  0  0  0
   10.3191   -0.2253   -0.5519 F   0  0  0  0  0
    9.8662    1.5887    0.5700 F   0  0  0  0  0
    3.3663    4.3266   -0.1293 C   0  0  0  0  0
    3.7101    5.6911   -0.0202 C   0  0  0  0  0
    2.7062    6.6648   -0.0448 C   0  0  0  0  0
    1.3719    6.2971   -0.1778 C   0  0  0  0  0
    1.0040    4.9532   -0.2885 C   0  0  0  0  0
    2.0192    3.9814   -0.2595 C   0  0  0  0  0
   -0.5810    0.8978   -1.8359 H   0  0  0  0  0
    1.1037    1.0004   -2.3765 H   0  0  0  0  0
    0.0881    2.4481   -2.3734 H   0  0  0  0  0
    0.8947    0.8932    0.1552 H   0  0  0  0  0
   -0.0505    2.3719    0.1275 H   0  0  0  0  0
    6.1988    3.6504    0.1111 H   0  0  0  0  0
    5.3473   -0.5729   -0.2733 H   0  0  0  0  0
    2.9724   -0.0970   -0.4819 H   0  0  0  0  0
    7.9077    2.1270    0.2556 H   0  0  0  0  0
    4.7500    5.9885    0.0828 H   0  0  0  0  0
    2.9731    7.7148    0.0405 H   0  0  0  0  0
    0.6023    7.0653   -0.1950 H   0  0  0  0  0
   -0.0414    4.6820   -0.3932 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 17  1  0  0  0
  6  7  2  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 29  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 16  1  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 32  1  0  0  0
 19 20  2  0  0  0
 19 33  1  0  0  0
 20 21  1  0  0  0
 20 34  1  0  0  0
 21 22  2  0  0  0
 21 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL61879

>  <PubChem CID>
2226619

>  <Formula>
C16H13F3N2O

>  <Molecular Weight>
306.288000

>  <IUPAC Name>
N-(9-ethylcarbazol-3-yl)-2,2,2-trifluoroacetamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN1C2=C(C=C(C=C2)NC(=O)C(F)(F)F)C3=CC=CC=C31

>  <Isomeric SMILES>
CCN1C2=C(C=C(C=C2)NC(=O)C(F)(F)F)C3=CC=CC=C31

>  <InChI Std. ID>
InChI=1S/C16H13F3N2O/c1-2-21-13-6-4-3-5-11(13)12-9-10(7-8-14(12)21)20-15(22)16(17,18)19/h3-9H,2H2,1H3,(H,20,22)

>  <InChI Key>
ASFXOPCVODXQIM-UHFFFAOYSA-N

