Molecule

ID:3343

General Information
Structure
MolImage
Molecular Formula
C₃H₆O₃
Molecular Mass
90.07794
Exact Mass
90.03169405
Charge
0
InChI
InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)
InChIKey
ALRHLSYJTWAHJZ-UHFFFAOYSA-N
Canonic Smiles
OCCC(=O)O
Isomeric Smiles
OCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.84
LogD (pH = 5.5)
-2.12
Log P
-0.80
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.20
Polar Surface Area
57.53
Polarizability
8.16
Molar Refractivity
19.05
LOG S
0.83
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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