Molecule

ID:87359

General Information
Structure
Molecular Formula
C₆H₄O₄
Molecular Mass
140.09356
Exact Mass
140.01095861
Charge
0
InChI
InChI=1S/C6H4O4/c7-5(8)4-2-1-3-10-6(4)9/h1-3H,(H,7,8)
InChIKey
JZLDUSDULLYAGM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccoc1=O
Isomeric Smiles
o1cccc(c1=O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5057085
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6529204
LogD (pH = 7.4)
-3.0404072
Log P
0.3332656
Molar Refractivity
32.1698
Polarizability
11.998467
Polar Surface Area
63.6
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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