Molecule

ID:6

General Information
Structure
MolImage
Molecular Formula
C₃H₄O₃
Molecular Mass
88.06206
Exact Mass
88.01604399
Charge
0
InChI
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKey
LCTONWCANYUPML-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)C
Isomeric Smiles
OC(=O)C(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-3.42
LogD (pH = 5.5)
-2.46
Log P
0.07
Rotatable Bonds
1
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
2.93
Polar Surface Area
54.37
Polarizability
7.32
Molar Refractivity
17.99
LOG S
0.13
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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