Molecule

ID:3232

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₂
Molecular Mass
88.10512
Exact Mass
88.0524295
Charge
0
InChI
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey
FERIUCNNQQJTOY-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)O
Isomeric Smiles
CCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.53
LogD (pH = 5.5)
0.23
Log P
0.92
Rotatable Bonds
2
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.91
Polar Surface Area
37.30
Polarizability
9.21
Molar Refractivity
21.87
LOG S
-0.32
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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