Molecule

ID:45327

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₃
Molecular Mass
104.10452
Exact Mass
104.04734412
Charge
0
InChI
InChI=1S/C4H8O3/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6)
InChIKey
ICPWFHKNYYRBSZ-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)OC
Isomeric Smiles
C(=O)(C(OC)C)O
Calculated Properties
JChem
Acid pKa
3.9901018
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3476901
LogD (pH = 7.4)
-2.9934227
Log P
0.17129698
Molar Refractivity
23.591
Polarizability
9.41032
Polar Surface Area
46.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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