Molecule

ID:91079

General Information
Structure
Molecular Formula
C₁₄H₁₀O₂
Molecular Mass
210.228
Exact Mass
210.06807956
Charge
0
InChI
InChI=1S/C14H10O2/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,(H,15,16)
InChIKey
DNVJGJUGFFYUPT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1c2ccccc2c2c1cccc2
Isomeric Smiles
OC(=O)C1c2c(cccc2)c2c1cccc2
Calculated Properties
JChem
Acid pKa
4.467913
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8924847
LogD (pH = 7.4)
0.1270193
Log P
2.9617639
Molar Refractivity
61.1133
Polarizability
24.76721
Polar Surface Area
37.3
Rotatable Bonds
1
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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