Molecule

ID:76153

General Information
Structure
Molecular Formula
C₁₃H₁₀O₂
Molecular Mass
198.2173
Exact Mass
198.06807956
Charge
0
InChI
InChI=1S/C13H10O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H
InChIKey
QWLHJVDRPZNVBS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
O(c1ccc(cc1)C=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1860354
LogD (pH = 7.4)
3.1860354
Log P
3.1860354
Molar Refractivity
58.8828
Polarizability
22.558773
Polar Surface Area
26.3
Rotatable Bonds
3
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
References
Bioactivity
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