Molecule

ID:87283

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₂
Molecular Mass
138.1638
Exact Mass
138.06807956
Charge
0
InChI
InChI=1S/C8H10O2/c1-5-6(2)8(10)4-3-7(5)9/h3-4,9-10H,1-2H3
InChIKey
BXJGUBZTZWCMEX-UHFFFAOYSA-N
Canonic Smiles
Cc1c(O)ccc(c1C)O
Isomeric Smiles
Oc1c(c(c(cc1)O)C)C
Calculated Properties
JChem
Acid pKa
10.159655
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3929484
LogD (pH = 7.4)
2.392207
Log P
2.392958
Molar Refractivity
40.1022
Polarizability
15.064464
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
References
Bioactivity
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