Molecule

ID:41425

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃ClO₂
Molecular Mass
260.71552
Exact Mass
260.06040734
Charge
0
InChI
InChI=1S/C15H13ClO2/c1-11(17)14-4-2-3-5-15(14)18-10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3
InChIKey
JNNKBNAEBIMZBA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)COc1ccccc1C(=O)C
Isomeric Smiles
c1(C(=O)C)c(OCc2ccc(Cl)cc2)cccc1
Calculated Properties
JChem
Acid pKa
15.617917
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7017398
LogD (pH = 7.4)
3.7017398
Log P
3.7017398
Molar Refractivity
72.3414
Polarizability
28.030235
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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