Molecule

ID:101088

General Information
Structure
MolImage
Molecular Formula
C₉H₈O₂
Molecular Mass
148.15862
Exact Mass
148.0524295
Charge
0
InChI
InChI=1S/C9H8O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,10H,6H2
InChIKey
XSLXZYDPOMAXTM-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc2c(c1)cco2
Isomeric Smiles
c12c(occ1)ccc(c2)CO
Calculated Properties
JChem
Acid pKa
14.885714
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3650194
LogD (pH = 7.4)
1.3650194
Log P
1.3650194
Molar Refractivity
41.715
Polarizability
17.171541
Polar Surface Area
33.37
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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