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Chemical ID: 4464044
Chemical ID:
4464044
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-(2,6-dichloro-4-formyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)COc2c(cc(cc2Cl)C=O)Cl
InChi [?]:
InChI=1/C16H12Cl3NO3/c1-9-2-3-11(6-12(9)17)20-15(22)8-23-16-13(18)4-10(7-21)5-14(16)19/h2-7H,8H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,18,6,21,12,2,17,5,7,15,19,10,14,8,23,20,9,22,11,13/E:(4,5)(13,14)(18,19)/rA:23nCCCCCCCClNCOCOCCCCCCClCOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;d21;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12Cl3NO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.75359 |
Area: | 569.157 |
Solvation: | -5.47533 |
Coulombic: | -35.6123 |
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: | 4.46 |
LogP (Chemaxon): | 4.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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