ChemDB: Chemical Search
Download
Chemical ID: 6637914
Chemical ID:
6637914
Name [?]:
2-chloro-N-[(2,4,6-trimethylphenyl)methyl]acetamide
SMILES [?]:
Cc1cc(c(c(c1)C)CNC(=O)CCl)C
InChi [?]:
InChI=1/C12H16ClNO/c1-8-4-9(2)11(10(3)5-8)7-14-12(15)6-13/h4-5H,6-7H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,8,15,7,3,13,9,2,6,4,5,11,14,10,12/E:(2,3)(4,5)(9,10)/rA:15nCCCCCCCCCNCOCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16ClNO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.14924 |
Area: | 420.21 |
Solvation: | -2.35601 |
Coulombic: | -21.2654 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 225.714 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.97 |
LogP (Chemaxon): | 2.98 |
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 |
---|