Molecule

ID:59027

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6H,4-5H2,1H3
InChIKey
RJHXEPLSJAVTFW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)C(=O)CCO2
Isomeric Smiles
c1(ccc2c(c1)C(=O)CCO2)C
Calculated Properties
JChem
Acid pKa
14.433654
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8249853
LogD (pH = 7.4)
1.8249851
Log P
1.8249853
Molar Refractivity
46.1055
Polarizability
17.61451
Polar Surface Area
26.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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