Molecule

ID:67693

General Information
Structure
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5,11H,2,4,6H2
InChIKey
LTLOEHIVHXTMBN-UHFFFAOYSA-N
Canonic Smiles
Oc1cc2CC(=O)CCc2cc1
Isomeric Smiles
C1C(=O)CCc2ccc(cc12)O
Calculated Properties
JChem
Acid pKa
9.411318
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.942664
LogD (pH = 7.4)
1.9385312
Log P
1.942717
Molar Refractivity
46.1625
Polarizability
17.634342
Polar Surface Area
37.3
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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