ChemDB: Chemical Search
Download
Chemical ID: 6606840
Chemical ID:
6606840
Name [?]:
2-chloro-N-(5-chloro-2-methoxy-phenyl)-propanamide
SMILES [?]:
CC(C(=O)Nc1cc(ccc1OC)Cl)Cl
InChi [?]:
InChI=1/C10H11Cl2NO2/c1-6(11)10(14)13-8-5-7(12)3-4-9(8)15-2/h3-6H,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,13,9,10,7,2,8,6,11,3,15,14,5,4,12/rA:15cCCCONCCCCCCOCClCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;s8;s2;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11Cl2NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.62519 |
Area: | 422.828 |
Solvation: | -2.94552 |
Coulombic: | -28.9469 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 248.105 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.34 |
LogP (Chemaxon): | 2.77 |
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 |
---|