Molecule

ID:37309

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClO₃
Molecular Mass
262.68834
Exact Mass
262.03967189
Charge
0
InChI
InChI=1S/C14H11ClO3/c15-12-6-4-10(5-7-12)9-18-13-3-1-2-11(8-13)14(16)17/h1-8H,9H2,(H,16,17)
InChIKey
HAJZIYOAOZVAIJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)COc1cccc(c1)C(=O)O
Isomeric Smiles
c1(cc(ccc1)C(=O)O)OCc1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
3.8373044
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1355007
LogD (pH = 7.4)
0.5568225
Log P
3.8016753
Molar Refractivity
69.1948
Polarizability
26.63634
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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