Molecule
ID:79789
General Information
Molecular Formula
C₁₅H₁₁ClO₂
Molecular Mass
258.69964
Exact Mass
258.04475727
Charge
0
InChI
InChI=1S/C15H11ClO2/c16-12-8-6-10(7-9-12)13(17)15-14(18-15)11-4-2-1-3-5-11/h1-9,14-15H
InChIKey
WDBQFPCVLLFPRH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)C1OC1c1ccccc1
Isomeric Smiles
O1C(C1c1ccccc1)C(=O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
15.787591
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.785488
LogD (pH = 7.4)
3.785488
Log P
3.785488
Molar Refractivity
69.7781
Polarizability
27.320929
Polar Surface Area
29.6
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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