ChemDB: Chemical Search
Download
Chemical ID: 5822041
Chemical ID:
5822041
Name [?]:
N-(3-chloro-2-methyl-phenyl)-2-(2,4-dichlorophenoxy)-acetamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)COc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C15H12Cl3NO2/c1-9-11(17)3-2-4-13(9)19-15(20)8-21-14-6-5-10(16)7-12(14)18/h2-7H,8H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,16,15,18,12,2,17,7,19,3,14,10,21,8,20,9,11,13/rA:21nCCCCCCCClNCOCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12Cl3NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18817 |
Area: | 534.292 |
Solvation: | -4.16912 |
Coulombic: | -29.377 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 344.619 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.77 |
LogP (Chemaxon): | 4.25 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|