Molecule

ID:3416

General Information
Structure
MolImage
Molecular Formula
C₃H₆O₂
Molecular Mass
74.07854
Exact Mass
74.03677943
Charge
0
InChI
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
InChIKey
XBDQKXXYIPTUBI-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)O
Isomeric Smiles
CCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.12
LogD (pH = 5.5)
-0.34
Log P
0.48
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.75
Polar Surface Area
37.30
Polarizability
7.24
Molar Refractivity
17.27
LOG S
0.23
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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