ChemDB: Chemical Search
Download
Chemical ID: 4427543
Chemical ID:
4427543
Name [?]:
2,2,2-trichloro-N-(2,3-dimethylphenyl)-acetamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)C(Cl)(Cl)Cl
InChi [?]:
InChI=1/C10H10Cl3NO/c1-6-4-3-5-8(7(6)2)14-9(15)10(11,12)13/h3-5H,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,2,7,6,10,12,13,14,15,9,11/E:(11,12,13)/rA:15nCCCCCCCCNCOCClClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s12;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10Cl3NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.27976 |
Area: | 420.84 |
Solvation: | -1.24123 |
Coulombic: | -25.7139 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 266.551 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.05 |
LogP (Chemaxon): | 3.33 |
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 |
---|