Molecule

ID:57851

General Information
Structure
MolImage
Molecular Formula
C₆H₄O₅
Molecular Mass
156.09296
Exact Mass
156.00587323
Charge
0
InChI
InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)
InChIKey
CHTHALBTIRVDBM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(o1)C(=O)O
Isomeric Smiles
o1c(ccc1C(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
2.759006
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.436704
LogD (pH = 7.4)
-6.634795
Log P
0.2686594
Molar Refractivity
32.8388
Polarizability
12.186117
Polar Surface Area
87.74
Rotatable Bonds
2
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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