Molecule

ID:75298

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3
InChIKey
SULYEHHGGXARJS-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)O)C(=O)C
Isomeric Smiles
O=C(c1c(cc(cc1)O)O)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.45
LogD (pH = 5.5)
1.57
Log P
1.57
Rotatable Bonds
1
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
7.88
Polar Surface Area
57.53
Polarizability
14.89
Molar Refractivity
40.42
LOG S
-0.94
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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