Chemical ID: 7221668

Cn1c(cc(n1)c2nc3c4ccccc4ncn3n2)C(F)(F)F
Chemical ID:
7221668
Name [?]:
None
SMILES [?]:
Cn1c(cc(n1)c2nc3c4ccccc4ncn3n2)C(F)(F)F
InChi [?]:
InChI=1/C14H9F3N6/c1-22-11(14(15,16)17)6-10(20-22)12-19-13-8-4-2-3-5-9(8)18-7-23(13)21-12/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,14,4,17,10,15,5,3,7,9,20,21,22,23,16,8,6,19,2,18/E:(15,16,17)/rA:23nCNCCCNCNCCCCCCCNCNNCFFF/rB:s1;s2;d3;s4;s2d5;s5;s7;d8;s9;s10;d11;s12;d13;d10s14;s15;d16;s9s17;d7s18;s3;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9F3N6
All Atoms:32
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.94742
Area:466.463
Solvation:-2.71415
Coulombic:-42.4913
Bond Count [?]
All:26
Single:18
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:318.257
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.66
LogP (Chemaxon):2.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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