ChemDB: Chemical Search
Download
Chemical ID: 6367325
Chemical ID:
6367325
Name [?]:
2-chloro-N-[(4-methoxyphenyl)methyl]acetamide
SMILES [?]:
COc1ccc(cc1)CNC(=O)CCl
InChi [?]:
InChI=1/C10H12ClNO2/c1-14-9-4-2-8(3-5-9)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,7,4,8,13,9,6,3,11,14,10,12,2/E:(2,3)(4,5)/rA:14nCOCCCCCCCNCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12ClNO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.27836 |
Area: | 401.705 |
Solvation: | -3.76427 |
Coulombic: | -28.0877 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 213.661 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.57 |
LogP (Chemaxon): | 1.33 |
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 |
---|