Molecule

ID:71783

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClO₄
Molecular Mass
266.67704
Exact Mass
266.03458651
Charge
0
InChI
InChI=1S/C13H11ClO4/c1-8-6-9(14)2-4-11(8)17-7-10-3-5-12(18-10)13(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKey
OTZHOWDFRVZJIV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C)OCc1ccc(o1)C(=O)O
Isomeric Smiles
o1c(ccc1C(=O)O)COc1c(cc(cc1)Cl)C
Calculated Properties
JChem
Acid pKa
3.1123633
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9361834
LogD (pH = 7.4)
-0.16428731
Log P
3.2953444
Molar Refractivity
66.5044
Polarizability
25.345074
Polar Surface Area
59.67
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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