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Chemical ID: 6462609
Chemical ID:
6462609
Name [?]:
N-(2,4-dimethylphenyl)-2-(2,4,5-trichlorophenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)COc2cc(c(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C16H14Cl3NO2/c1-9-3-4-14(10(2)5-9)20-16(21)8-22-15-7-12(18)11(17)6-13(15)19/h3-7H,8H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,7,18,15,12,2,6,17,16,19,5,14,10,21,22,20,9,11,13/rA:22nCCCCCCCCNCOCOCCCCCCClClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14Cl3NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.57489 |
Area: | 556.895 |
Solvation: | -4.34748 |
Coulombic: | -28.4255 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 358.646 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.2 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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