Molecule

ID:25729

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Cl₂O₃
Molecular Mass
249.0906
Exact Mass
248.00069954
Charge
0
InChI
InChI=1S/C10H10Cl2O3/c1-10(2,9(13)14)15-8-4-3-6(11)5-7(8)12/h3-5H,1-2H3,(H,13,14)
InChIKey
DVCPZLUILSFNDO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)OC(C(=O)O)(C)C
Isomeric Smiles
C(Oc1c(cc(cc1)Cl)Cl)(C(=O)O)(C)C
Calculated Properties
JChem
Acid pKa
3.065952
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1010679
LogD (pH = 7.4)
0.036957845
Log P
3.5031774
Molar Refractivity
57.4226
Polarizability
22.761173
Polar Surface Area
46.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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