Molecule

ID:84110

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₃ClO₄
Molecular Mass
340.75712
Exact Mass
340.05023658
Charge
0
InChI
InChI=1S/C19H13ClO4/c20-14-8-5-13(6-9-14)17(21)11-24-19(23)16-10-7-12-3-1-2-4-15(12)18(16)22/h1-10,22H,11H2
InChIKey
DCOAKQMOVADYSC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)COC(=O)c1ccc2c(c1O)cccc2
Isomeric Smiles
O(C(=O)c1c(c2ccccc2cc1)O)CC(=O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
9.327348
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.148837
LogD (pH = 7.4)
5.14384
Log P
5.1489015
Molar Refractivity
91.2209
Polarizability
36.2107
Polar Surface Area
63.6
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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