ChemDB: Chemical Search
Download
Chemical ID: 4144574
Chemical ID:
4144574
Name [?]:
2-chloro-N-(3-chloro-2-methyl-phenyl)-acetamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)CCl
InChi [?]:
InChI=1/C9H9Cl2NO/c1-6-7(11)3-2-4-8(6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,12,2,7,3,10,13,8,9,11/rA:13nCCCCCCCClNCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H9Cl2NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.16626 |
Area: | 378.279 |
Solvation: | -2.29071 |
Coulombic: | -20.7738 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.079 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.3 |
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 |
---|