Molecule

ID:123357

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₄
Molecular Mass
146.1412
Exact Mass
146.0579088
Charge
0
InChI
InChI=1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3
InChIKey
WYACBZDAHNBPPB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)OCC
Isomeric Smiles
C(=O)(C(=O)OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2083191
LogD (pH = 7.4)
1.2083191
Log P
1.2083191
Molar Refractivity
33.474
Polarizability
13.4318905
Polar Surface Area
52.6
Rotatable Bonds
5
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