Molecule

ID:37201

General Information
Structure
Molecular Formula
C₁₄H₁₁ClO₃
Molecular Mass
262.68834
Exact Mass
262.03967189
Charge
0
InChI
InChI=1S/C14H11ClO3/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H,16,17)
InChIKey
LPILWQCXDRPDBT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1COc1ccc(cc1)C(=O)O
Isomeric Smiles
c1cc(ccc1OCc1ccccc1Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
4.356255
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.629591
LogD (pH = 7.4)
0.8803423
Log P
3.8016753
Molar Refractivity
69.1948
Polarizability
26.641787
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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