Molecule

ID:37312

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClO₃
Molecular Mass
262.68834
Exact Mass
262.03967189
Charge
0
InChI
InChI=1S/C14H11ClO3/c15-11-6-7-13(12(8-11)14(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKey
ULFLACGIFMTNGR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(=O)O)OCc1ccccc1
Isomeric Smiles
c1(cc(c(cc1)OCc1ccccc1)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.510726
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8203145
LogD (pH = 7.4)
0.42952076
Log P
3.8016753
Molar Refractivity
69.1948
Polarizability
26.637362
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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