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Chemical ID: 4787108
Chemical ID:
4787108
Name [?]:
N-(4-chlorophenyl)carbonimidoyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILES [?]:
c1cc(ccc1C(=N)NC(=O)c2ccc(nc2)OCC(F)(F)F)Cl
InChi [?]:
InChI=1/C15H11ClF3N3O2/c16-11-4-1-9(2-5-11)13(20)22-14(23)10-3-6-12(21-7-10)24-8-15(17,18)19/h1-7H,8H2,(H2,20,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,13,2,4,14,17,19,6,12,3,15,7,10,20,24,21,22,23,8,16,9,11,18/E:(1,2)(4,5)(17,18,19)/rA:24nCCCCCCCNNCOCCCCNCOCCFFFCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;s20;s20;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11ClF3N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.13936 |
Area: | 538.4 |
Solvation: | -4.32064 |
Coulombic: | -65.241 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 357.715 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.86 |
LogP (Chemaxon): | 3.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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