Molecule

ID:44257

General Information
Structure
MolImage
Molecular Formula
C₉H₈Cl₂O₃
Molecular Mass
235.06402
Exact Mass
233.98504948
Charge
0
InChI
InChI=1S/C9H8Cl2O3/c1-13-8-6(10)3-5(4-7(8)11)9(12)14-2/h3-4H,1-2H3
InChIKey
SHPKLAWJDWHSCJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(Cl)c(c(c1)Cl)OC
Isomeric Smiles
c1(c(cc(C(=O)OC)cc1Cl)Cl)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0271409
LogD (pH = 7.4)
3.0271409
Log P
3.0271409
Molar Refractivity
54.1561
Polarizability
21.181112
Polar Surface Area
35.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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