Molecule

ID:77078

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-6-4-9(8(3)11)5-7(2)10(6)12/h4-5,12H,1-3H3
InChIKey
MUWPKXVVEOGKNO-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cc(C)c(c(c1)C)O
Isomeric Smiles
Oc1c(cc(cc1C)C(=O)C)C
Calculated Properties
JChem
Acid pKa
8.516938
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2537558
LogD (pH = 7.4)
2.2223942
Log P
2.254171
Molar Refractivity
48.5241
Polarizability
18.194084
Polar Surface Area
37.3
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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