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Chemical ID: 7221668
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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