Molecule

ID:70735

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₃
Molecular Mass
116.11522
Exact Mass
116.04734412
Charge
0
InChI
InChI=1S/C5H8O3/c1-2-8-4-3-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
InChIKey
SYMAGJYJMLUEQE-ONEGZZNKSA-N
Canonic Smiles
CCO/C=C/C(=O)O
Isomeric Smiles
C(=O)(/C=C/OCC)O
Calculated Properties
JChem
Acid pKa
4.9253135
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.26455915
LogD (pH = 7.4)
-2.0272813
Log P
0.41217017
Molar Refractivity
28.7689
Polarizability
10.970426
Polar Surface Area
46.53
Rotatable Bonds
3
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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