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Chemical ID: 4235002
Chemical ID:
4235002
Name [?]:
N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)-acetamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)COc2cc(c(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C16H12Cl3NO3/c1-9(21)10-2-4-11(5-3-10)20-16(22)8-23-15-7-13(18)12(17)6-14(15)19/h2-7H,8H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,9,6,8,19,16,13,2,4,7,18,17,20,15,11,22,23,21,10,3,12,14/E:(2,3)(4,5)/rA:23nCCOCCCCCCNCOCOCCCCCCClClCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12Cl3NO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.88167 |
Area: | 573.633 |
Solvation: | -5.45916 |
Coulombic: | -35.1896 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.63 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.38 |
LogP (Chemaxon): | 3.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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