Molecule

ID:92240

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₂
Molecular Mass
138.1638
Exact Mass
138.06807956
Charge
0
InChI
InChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3
InChIKey
PETRWTHZSKVLRE-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)ccc1O
Isomeric Smiles
Oc1c(cc(cc1)C)OC
Calculated Properties
JChem
Acid pKa
10.338343
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0254242
LogD (pH = 7.4)
2.0249333
Log P
2.0254307
Molar Refractivity
39.5433
Polarizability
15.212808
Polar Surface Area
29.46
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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