Chemical ID: 4740693

Cc1cc(ccc1NC(=O)C)N=Nc2cccc(c2)C(F)(F)F
Chemical ID:
4740693
Name [?]:
N-[2-methyl-4-[3-(trifluoromethyl)phenyl]azo-phenyl]acetamide
SMILES [?]:
Cc1cc(ccc1NC(=O)C)N=Nc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C16H14F3N3O/c1-10-8-14(6-7-15(10)20-11(2)23)22-21-13-5-3-4-12(9-13)16(17,18)19/h3-9H,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,11,16,17,15,5,6,3,19,2,9,18,14,4,7,20,21,22,23,8,13,12,10/E:(17,18,19)/rA:23nCCCCCCCNCOCNNCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s4;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14F3N3O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.97568
Area:457.932
Solvation:-3.47263
Coulombic:-41.6514
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:321.297
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.54
LogP (Chemaxon):4.37

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