Molecule

ID:60108

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)6(2)8(10)4-5/h3-4,9-10H,1-2H3
InChIKey
GHVHDYYKJYXFGU-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(O)c(c(c1)O)C
Isomeric Smiles
c1(cc(cc(c1C)O)C)O
Calculated Properties
JChem
Acid pKa
9.783228
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3929355
LogD (pH = 7.4)
2.3911743
Log P
2.392958
Molar Refractivity
40.1022
Polarizability
15.065068
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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