Molecule

ID:8459

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₂
Molecular Mass
138.1638
Exact Mass
138.06807956
Charge
0
InChI
InChI=1S/C8H10O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4,9-10H,1-2H3
InChIKey
SGWZVZZVXOJRAQ-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(C)c(c(c1)C)O
Isomeric Smiles
Oc1c(cc(cc1C)O)C
Calculated Properties
JChem
Acid pKa
10.111358
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3929474
LogD (pH = 7.4)
2.392119
Log P
2.392958
Molar Refractivity
40.1022
Polarizability
15.064623
Polar Surface Area
40.46
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
No Data Available
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Molecule Details
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References
Bioactivity
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