ChemDB: Chemical Search
Download
Chemical ID: 6398138
Chemical ID:
6398138
Name [?]:
2-chloro-N-(2,6-dichlorophenyl)-acetamide
SMILES [?]:
c1cc(c(c(c1)Cl)NC(=O)CCl)Cl
InChi [?]:
InChI=1/C8H6Cl3NO/c9-4-7(13)12-8-5(10)2-1-3-6(8)11/h1-3H,4H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,3,5,9,4,12,13,7,8,10/E:(2,3)(5,6)(10,11)/rA:13nCCCCCCClNCOCClCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;d9;s9;s11;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H6Cl3NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.13375 |
Area: | 385.189 |
Solvation: | -2.49597 |
Coulombic: | -21.1568 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 238.497 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.76 |
LogP (Chemaxon): | 1.7 |
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 |
---|