Molecule
ID:67145
General Information
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-6-3-4-7(2)9(11)8(6)5-10/h3-5,11H,1-2H3
InChIKey
WTHUWXPBPNTSHJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)ccc(c1O)C
Isomeric Smiles
C(=O)c1c(c(ccc1C)C)O
Calculated Properties
JChem
Acid pKa
8.875925
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.058844
LogD (pH = 7.4)
3.0448427
Log P
3.0590255
Molar Refractivity
44.7053
Polarizability
16.355696
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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