Molecule

ID:37236

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClO₃
Molecular Mass
262.68834
Exact Mass
262.03967189
Charge
0
InChI
InChI=1S/C14H11ClO3/c15-12-5-1-3-10(7-12)9-18-13-6-2-4-11(8-13)14(16)17/h1-8H,9H2,(H,16,17)
InChIKey
KBJNBGAXZRIWHP-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)COc1cccc(c1)C(=O)O
Isomeric Smiles
c1ccc(cc1OCc1cc(ccc1)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.837304
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1355004
LogD (pH = 7.4)
0.5568224
Log P
3.8016753
Molar Refractivity
69.1948
Polarizability
26.637096
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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