Molecule

ID:128189

General Information
Structure
MolImage
Molecular Formula
C₃H₂O₃
Molecular Mass
86.04618
Exact Mass
86.00039392
Charge
0
InChI
InChI=1S/C3H2O3/c4-2-1-3(5)6-2/h1H2
InChIKey
KKHUSADXXDNRPW-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(=O)O1
Isomeric Smiles
O=C1OC(=O)C1
Calculated Properties
JChem
Acid pKa
6.708498
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.22300029
LogD (pH = 7.4)
-0.9674874
Log P
-0.19694526
Molar Refractivity
15.7824
Polarizability
6.568182
Polar Surface Area
43.37
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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