
 CHEMBL304245

 38 40  0  0  0  0  0  0  0  0999 V2000
    2.8801   -0.9183   -1.3961 C   0  0  0  0  0
    2.9138   -0.2480   -0.0317 C   0  0  0  0  0
    3.2748    1.1717   -0.1571 N   0  0  0  0  0
    2.2475    2.0977    0.3386 C   0  0  0  0  0
    2.5409    3.5489    0.0773 C   0  0  0  0  0
    3.8705    3.9806   -0.0066 C   0  0  0  0  0
    4.0983    5.3617   -0.1837 C   0  0  0  0  0
    3.0479    6.2933   -0.2458 C   0  0  0  0  0
    1.7390    5.8364   -0.1504 C   0  0  0  0  0
    1.4860    4.4739    0.0118 C   0  0  0  0  0
    3.4025    7.6498   -0.3943 N   0  0  0  0  0
    2.5558    8.7593   -0.4570 C   0  0  0  0  0
    1.3263    8.7206   -0.4062 O   0  0  0  0  0
    3.3338   10.0833   -0.5968 C   0  0  0  0  0
    3.0479   10.7432   -1.7511 F   0  0  0  0  0
    3.0915   10.9475    0.4252 F   0  0  0  0  0
    4.6857    9.8735   -0.6043 F   0  0  0  0  0
    4.9471    2.9638    0.0645 C   0  0  0  0  0
    6.3034    3.3297    0.2228 C   0  0  0  0  0
    7.3260    2.3829    0.2096 C   0  0  0  0  0
    7.0147    1.0474    0.0310 C   0  0  0  0  0
    5.6801    0.6582   -0.0977 C   0  0  0  0  0
    4.6157    1.5826   -0.0472 C   0  0  0  0  0
    2.6153   -1.9751   -1.2891 H   0  0  0  0  0
    3.8459   -0.8603   -1.9066 H   0  0  0  0  0
    2.1331   -0.4453   -2.0422 H   0  0  0  0  0
    3.5726   -0.7830    0.6617 H   0  0  0  0  0
    1.9116   -0.3437    0.4068 H   0  0  0  0  0
    1.2957    1.8428   -0.1453 H   0  0  0  0  0
    2.1194    1.9591    1.4200 H   0  0  0  0  0
    5.1155    5.7266   -0.2866 H   0  0  0  0  0
    0.8873    6.5073   -0.1949 H   0  0  0  0  0
    0.4545    4.1366    0.0933 H   0  0  0  0  0
    4.3980    7.8516   -0.4482 H   0  0  0  0  0
    6.5938    4.3661    0.3620 H   0  0  0  0  0
    8.3607    2.6943    0.3246 H   0  0  0  0  0
    7.8032    0.3013   -0.0049 H   0  0  0  0  0
    5.4968   -0.4008   -0.2428 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 18  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 17  1  0  0  0
 14 16  1  0  0  0
 14 15  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 35  1  0  0  0
 20 21  2  0  0  0
 20 36  1  0  0  0
 21 22  1  0  0  0
 21 37  1  0  0  0
 22 23  2  0  0  0
 22 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL304245

>  <PubChem CID>
22288540

>  <Formula>
C17H15F3N2O

>  <Molecular Weight>
320.315000

>  <IUPAC Name>
N-(5-ethyl-6H-phenanthridin-9-yl)-2,2,2-trifluoroacetamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN1CC2=C(C=C(C=C2)NC(=O)C(F)(F)F)C3=CC=CC=C31

>  <Isomeric SMILES>
CCN1CC2=C(C=C(C=C2)NC(=O)C(F)(F)F)C3=CC=CC=C31

>  <InChI Std. ID>
InChI=1S/C17H15F3N2O/c1-2-22-10-11-7-8-12(21-16(23)17(18,19)20)9-14(11)13-5-3-4-6-15(13)22/h3-9H,2,10H2,1H3,(H,21,23)

>  <InChI Key>
BSYZLLRPXDYMFO-UHFFFAOYSA-N

