Molecule

ID:78183

General Information
Structure
MolImage
Molecular Formula
C₃H₆O₂
Molecular Mass
74.07854
Exact Mass
74.03677943
Charge
0
InChI
InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
InChIKey
XLSMFKSTNGKWQX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CO
Isomeric Smiles
OCC(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-0.71
LogD (pH = 5.5)
-0.71
Log P
-0.71
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
13.88
Polar Surface Area
37.30
Polarizability
7.25
Molar Refractivity
17.90
LOG S
0.50
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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