Molecule

ID:112536

General Information
Structure
MolImage
Molecular Formula
C₆H₄O₃
Molecular Mass
124.09416
Exact Mass
124.01604399
Charge
0
InChI
InChI=1S/C6H4O3/c7-5-3-1-2-4(3)6(8)9-5/h1-2H2
InChIKey
GESSCCPUQBUTFG-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)C2=C1CC2
Isomeric Smiles
C1CC2=C1C(=O)OC2=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8872994
LogD (pH = 7.4)
0.8872994
Log P
0.8872994
Molar Refractivity
28.3136
Polarizability
11.01908
Polar Surface Area
43.37
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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