Molecule

ID:107058

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₃
Molecular Mass
130.1418
Exact Mass
130.06299418
Charge
0
InChI
InChI=1S/C6H10O3/c1-3-6(7)9-5-4-8-2/h3H,1,4-5H2,2H3
InChIKey
HFCUBKYHMMPGBY-UHFFFAOYSA-N
Canonic Smiles
COCCOC(=O)C=C
Isomeric Smiles
COCCOC(=O)C=C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.86519915
LogD (pH = 7.4)
0.86519915
Log P
0.86519915
Molar Refractivity
33.104
Polarizability
13.032595
Polar Surface Area
35.53
Rotatable Bonds
5
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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