Molecule

ID:75237

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O₂
Molecular Mass
222.2387
Exact Mass
222.06807956
Charge
0
InChI
InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)
InChIKey
XGWFJBFNAQHLEF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c2ccccc2cc2c1cccc2
Isomeric Smiles
OC(=O)c1c2c(cc3ccccc13)cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
0.16
LogD (pH = 5.5)
1.32
Log P
3.61
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
3.19
Polar Surface Area
37.30
Polarizability
23.65
Molar Refractivity
66.21
LOG S
-5.29
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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