Molecule

ID:89766

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀O₂
Molecular Mass
198.2173
Exact Mass
198.06807956
Charge
0
InChI
InChI=1S/C13H10O2/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-9H,(H,14,15)
InChIKey
KWGPBDBAAXYWOJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)/C=C/c1ccc2c(c1)cccc2
Isomeric Smiles
OC(=O)/C=C/c1cc2ccccc2cc1
Calculated Properties
JChem
Acid pKa
4.900727
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4293308
LogD (pH = 7.4)
0.6636492
Log P
3.125563
Molar Refractivity
59.5101
Polarizability
23.745186
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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