Molecule

ID:1535

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₃
Molecular Mass
102.08864
Exact Mass
102.03169405
Charge
0
InChI
InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
InChIKey
WDJHALXBUFZDSR-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CC(=O)O
Isomeric Smiles
CC(=O)CC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.15
LogD (pH = 5.5)
-1.49
Log P
-0.00
Rotatable Bonds
2
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.02
Polar Surface Area
54.37
Polarizability
9.16
Molar Refractivity
22.54
LOG S
0.32
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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