Molecule

ID:74426

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₂
Molecular Mass
138.1638
Exact Mass
138.06807956
Charge
0
InChI
InChI=1S/C8H10O2/c1-10-8-4-2-3-7(5-8)6-9/h2-5,9H,6H2,1H3
InChIKey
IIGNZLVHOZEOPV-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(c1)OC
Isomeric Smiles
OCc1cc(ccc1)OC
Calculated Properties
JChem
Acid pKa
14.941855
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0482248
LogD (pH = 7.4)
1.0482248
Log P
1.0482248
Molar Refractivity
39.3371
Polarizability
15.297998
Polar Surface Area
29.46
Rotatable Bonds
2
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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