Molecule

ID:103047

General Information
Structure
MolImage
Molecular Formula
C₆H₄O₂
Molecular Mass
108.09476
Exact Mass
108.02112937
Charge
0
InChI
InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKey
AZQWKYJCGOJGHM-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)C=C1
Isomeric Smiles
O=C1C=CC(=O)C=C1
Calculated Properties
JChem
LogD (pH = 7.4)
1.02
LogD (pH = 5.5)
1.02
Log P
1.02
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-7.67
Polar Surface Area
34.14
Polarizability
9.75
Molar Refractivity
31.03
LOG S
-1.71
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
Loading...
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...