Molecule

ID:52456

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3,(H,10,11)
InChIKey
RIERSGULWXEJKL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1C)O
Isomeric Smiles
C(=O)(c1c(c(ccc1)O)C)O
Calculated Properties
JChem
Acid pKa
3.7545834
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.09459934
LogD (pH = 7.4)
-1.4432664
Log P
1.8406848
Molar Refractivity
40.3363
Polarizability
15.053406
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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