Molecule

ID:58588

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,5,9,11H,4H2
InChIKey
MFHBKQHAPQBJFO-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(c(c1)C=O)O
Isomeric Smiles
c1c(c(cc(c1)CO)C=O)O
Calculated Properties
JChem
Acid pKa
8.345657
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2642183
LogD (pH = 7.4)
1.2185644
Log P
1.2648331
Molar Refractivity
41.4388
Polarizability
15.303463
Polar Surface Area
57.53
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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