Molecule

ID:67974

General Information
Structure
Molecular Formula
C₄H₆O₂
Molecular Mass
86.08924
Exact Mass
86.03677943
Charge
0
InChI
InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)
InChIKey
YMGUBTXCNDTFJI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC1
Isomeric Smiles
C1(CC1)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.32
LogD (pH = 5.5)
-0.56
Log P
0.56
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.42
Polar Surface Area
37.30
Polarizability
8.33
Molar Refractivity
20.04
LOG S
-0.12
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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