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Chemical ID: 4740693
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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