ChemDB: Chemical Search
Download
Chemical ID: 6328690
Chemical ID:
6328690
Name [?]:
2-(4-chloro-3-methyl-phenoxy)propanoic acid
SMILES [?]:
Cc1cc(ccc1Cl)OC(C)C(=O)O
InChi [?]:
InChI=1/C10H11ClO3/c1-6-5-8(3-4-9(6)11)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,11,5,6,3,2,10,4,7,12,8,13,14,9/E:(12,13)/rA:14cCCCCCCCClOCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;s10;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11ClO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.76126 |
Area: | 385.844 |
Solvation: | -2.88483 |
Coulombic: | -35.9486 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 214.645 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.69 |
LogP (Chemaxon): | 2.86 |
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 |
---|