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Chemical ID: 7668601
Chemical ID:
7668601
Name [?]:
None
SMILES [?]:
CCn1cc(c(n1)C)C2=Nn3c(nnc3SC2)C(F)(F)F
InChi [?]:
InChI=1/C11H11F3N6S/c1-3-19-4-7(6(2)17-19)8-5-21-10-16-15-9(11(12,13)14)20(10)18-8/h4H,3,5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,2,4,17,6,5,9,12,15,18,19,20,21,13,14,7,10,3,11,16/E:(12,13,14)/rA:21nCCNCCCNCCNNCNNCSCCFFF/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;d9;s10;s11;d12;s13;s11d14;s15;s9s16;s12;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11F3N6S |
All Atoms: | 32 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.38528 |
Area: | 451.291 |
Solvation: | -2.897 |
Coulombic: | -33.8983 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.07 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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