Molecule

ID:102719

General Information
Structure
MolImage
Molecular Formula
C₆H₆O₂
Molecular Mass
110.11064
Exact Mass
110.03677943
Charge
0
InChI
InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
InChIKey
GHMLBKRAJCXXBS-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)O
Isomeric Smiles
Oc1cccc(O)c1
Calculated Properties
JChem
LogD (pH = 7.4)
1.36
LogD (pH = 5.5)
1.37
Log P
1.37
Rotatable Bonds
0
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.26
Polar Surface Area
40.46
Polarizability
10.75
Molar Refractivity
30.02
LOG S
-0.52
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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