Molecule

ID:109255

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀O₂
Molecular Mass
198.2173
Exact Mass
198.06807956
Charge
0
InChI
InChI=1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H
InChIKey
FCJSHPDYVMKCHI-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)Oc1ccccc1
Isomeric Smiles
O=C(Oc1ccccc1)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.63
LogD (pH = 5.5)
3.63
Log P
3.63
Rotatable Bonds
3
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.02
Polar Surface Area
26.30
Polarizability
21.14
Molar Refractivity
57.86
LOG S
-3.71
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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