Molecule

ID:102212

General Information
Structure
MolImage
Molecular Formula
C₄H₄O₅
Molecular Mass
132.07156
Exact Mass
132.00587323
Charge
0
InChI
InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)
InChIKey
KHPXUQMNIQBQEV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(=O)C(=O)O
Isomeric Smiles
OC(=O)CC(=O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.92
LogD (pH = 5.5)
-4.92
Log P
-0.04
Rotatable Bonds
3
H Donor
2
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
2.41
Polar Surface Area
91.67
Polarizability
10.07
Molar Refractivity
24.33
LOG S
0.09
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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