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Chemical ID: 6669407
Chemical ID:
6669407
Name [?]:
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4,5-trichlorophenoxy)-acetamide
SMILES [?]:
c1cc(c(cc1C(F)(F)F)NC(=O)COc2cc(c(cc2Cl)Cl)Cl)Cl
InChi [?]:
InChI=1/C15H8Cl4F3NO2/c16-8-2-1-7(15(20,21)22)3-12(8)23-14(24)6-25-13-5-10(18)9(17)4-11(13)19/h1-5H,6H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,5,20,17,14,6,3,19,18,21,4,16,12,7,25,23,24,22,8,9,10,11,13,15/E:(20,21,22)/rA:25nCCCCCCCFFFNCOCOCCCCCCClClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s19;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H8Cl4F3NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.79393 |
Area: | 590.464 |
Solvation: | -4.96767 |
Coulombic: | -47.1232 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 433.036 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.09 |
LogP (Chemaxon): | 5.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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