Molecule

ID:80492

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-3,9H,4-5H2
InChIKey
XVCMMPXFVAHHQN-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc2c1OCO2
Isomeric Smiles
O1c2c(cccc2CO)OC1
Calculated Properties
JChem
Acid pKa
14.611314
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8291295
LogD (pH = 7.4)
0.8291295
Log P
0.8291295
Molar Refractivity
38.6408
Polarizability
15.268969
Polar Surface Area
38.69
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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