Molecule

ID:59424

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₂
Molecular Mass
114.1424
Exact Mass
114.06807956
Charge
0
InChI
InChI=1S/C6H10O2/c1-5(2)4-8-6(3)7/h1,4H2,2-3H3
InChIKey
IVKYUXHYUAMPMT-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCC(=C)C
Isomeric Smiles
C(=O)(OCC(=C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.89715946
LogD (pH = 7.4)
0.89715946
Log P
0.89715946
Molar Refractivity
30.8575
Polarizability
12.307829
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation