Molecule

ID:25702

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Cl₂O₃
Molecular Mass
249.0906
Exact Mass
248.00069954
Charge
0
InChI
InChI=1S/C10H10Cl2O3/c1-2-8(10(13)14)15-9-4-3-6(11)5-7(9)12/h3-5,8H,2H2,1H3,(H,13,14)
InChIKey
BCOVXKWQTYUMNW-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)O)Oc1ccc(cc1Cl)Cl
Isomeric Smiles
O(c1c(cc(cc1)Cl)Cl)C(C(=O)O)CC
Calculated Properties
JChem
Acid pKa
3.1090093
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2306589
LogD (pH = 7.4)
0.13280557
Log P
3.592934
Molar Refractivity
57.2333
Polarizability
22.761179
Polar Surface Area
46.53
Rotatable Bonds
4
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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