Molecule

ID:89781

General Information
Structure
MolImage
Molecular Formula
C₆H₆O₃
Molecular Mass
126.11004
Exact Mass
126.03169405
Charge
0
InChI
InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H
InChIKey
GGNQRNBDZQJCCN-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)O)O
Isomeric Smiles
Oc1c(cc(cc1)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
1.06
LogD (pH = 5.5)
1.06
Log P
1.06
Rotatable Bonds
0
H Donor
3
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.39
Polar Surface Area
60.69
Polarizability
11.64
Molar Refractivity
32.00
LOG S
-0.14
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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