Chemical ID: 4723277

c1ccc2c(c1)c3c(nn2)nn4c(=O)cc(nc4n3)C(F)(F)F
Chemical ID:
4723277
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c(nn2)nn4c(=O)cc(nc4n3)C(F)(F)F
InChi [?]:
InChI=1/C13H5F3N6O/c14-13(15,16)8-5-9(23)22-12(17-8)18-10-6-3-1-2-4-7(6)19-20-11(10)21-22/h1-5H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,15,5,4,16,13,7,8,18,20,21,22,23,17,19,10,9,11,12,14/E:(14,15,16)/rA:23nCCCCCCCCNNNNCOCCNCNCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4d9;d8;s11;s12;d13;s13;d15;s16;s12d17;d7s18;s16;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H5F3N6O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.65333
Area:444.856
Solvation:-3.46807
Coulombic:-50.6222
Bond Count [?]
All:26
Single:17
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:318.214
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.33
LogP (Chemaxon):1.83

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Descriptor Annotations

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