Molecule

ID:24701

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀O₂
Molecular Mass
198.2173
Exact Mass
198.06807956
Charge
0
InChI
InChI=1S/C13H10O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,14,15)
InChIKey
XNLWJFYYOIRPIO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1)c1ccccc1
Isomeric Smiles
C(=O)(c1cc(c2ccccc2)ccc1)O
Calculated Properties
JChem
Acid pKa
3.9986975
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7673217
LogD (pH = 7.4)
0.11823745
Log P
3.278054
Molar Refractivity
58.4504
Polarizability
23.642096
Polar Surface Area
37.3
Rotatable Bonds
2
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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