Molecule

ID:75265

General Information
Structure
MolImage
Molecular Formula
C₆H₄O₄
Molecular Mass
140.09356
Exact Mass
140.01095861
Charge
0
InChI
InChI=1S/C6H4O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7,10H
InChIKey
QFSYADJLNBHAKO-UHFFFAOYSA-N
Canonic Smiles
OC1=CC(=O)C(=CC1=O)O
Isomeric Smiles
O=C1C(=CC(=O)C(=C1)O)O
Calculated Properties
JChem
Acid pKa
5.028359
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.6108195
LogD (pH = 7.4)
-2.3618684
Log P
-0.0132015515
Molar Refractivity
34.9636
Polarizability
12.096641
Polar Surface Area
74.6
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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