Molecule

ID:68436

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c1-5-7(10)3-2-6(4-9)8(5)11/h2-4,10-11H,1H3
InChIKey
AOPMHYFEQDBXPZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1O)C)O
Isomeric Smiles
C(=O)c1c(c(c(cc1)O)C)O
Calculated Properties
JChem
Acid pKa
7.816956
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.239964
LogD (pH = 7.4)
2.1012802
Log P
2.242039
Molar Refractivity
41.645
Polarizability
15.222127
Polar Surface Area
57.53
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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