Molecule

ID:76537

General Information
Structure
Molecular Formula
C₁₃H₁₀O₂
Molecular Mass
198.2173
Exact Mass
198.06807956
Charge
0
InChI
InChI=1S/C13H10O2/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h1-9,15H
InChIKey
NNZHMXXGNYZGLA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1cccc(c1)O
Isomeric Smiles
O=Cc1ccc(cc1)c1cc(ccc1)O
Calculated Properties
JChem
Acid pKa
9.821136
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0293875
LogD (pH = 7.4)
3.0277743
Log P
3.0294082
Molar Refractivity
59.7591
Polarizability
23.826532
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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