Molecule

ID:1524

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₂
Molecular Mass
186.2066
Exact Mass
186.06807956
Charge
0
InChI
InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
InChIKey
PRPINYUDVPFIRX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1cccc2c1cccc2
Isomeric Smiles
c12c(cccc1cccc2)CC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
0.00
LogD (pH = 5.5)
1.78
Log P
2.60
Rotatable Bonds
2
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.75
Polar Surface Area
37.30
Polarizability
19.42
Molar Refractivity
53.82
LOG S
-2.96
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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