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Chemical ID: 4703212
Chemical ID:
4703212
Name [?]:
6-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]-pyridine-3-carboxamide
SMILES [?]:
c1cc(ccc1NC(=O)c2ccc(nc2)n3ccnc3)OC(F)(F)F
InChi [?]:
InChI=1/C16H11F3N4O2/c17-16(18,19)25-13-4-2-12(3-5-13)22-15(24)11-1-6-14(21-9-11)23-8-7-20-10-23/h1-10H,(H,22,24)
InChi Info:
AuxInfo=1/1/N:11,1,5,2,4,12,18,17,15,20,10,6,3,13,8,22,23,24,25,19,14,7,16,9,21/E:(2,3)(4,5)(17,18,19)/rA:25nCCCCCCNCOCCCCNCNCCNCOCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;d17;s18;s16d19;s3;s21;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11F3N4O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18989 |
Area: | 516.776 |
Solvation: | -3.72953 |
Coulombic: | -67.4787 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 348.28 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.45 |
LogP (Chemaxon): | 2.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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