Molecule

ID:134762

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₂
Molecular Mass
89.09777484
Exact Mass
89.05578433
Charge
0
InChI
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/i3+1
InChIKey
FERIUCNNQQJTOY-LBPDFUHNSA-N
Canonic Smiles
CC[13CH2]C(=O)O
Isomeric Smiles
CC[13CH2]C(=O)O
Calculated Properties
JChem
Acid pKa
4.9079223
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.23125745
LogD (pH = 7.4)
-1.5335919
Log P
0.9217588
Molar Refractivity
21.8716
Polarizability
8.649612
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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