Molecule

ID:123424

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₃
Molecular Mass
130.1418
Exact Mass
130.06299418
Charge
0
InChI
InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
InChIKey
UAGJVSRUFNSIHR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCC(=O)C
Isomeric Smiles
C(=O)(CCC(=O)C)OC
Calculated Properties
JChem
Acid pKa
17.55349
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.07703661
LogD (pH = 7.4)
0.07703661
Log P
0.07703661
Molar Refractivity
31.8572
Polarizability
12.67607
Polar Surface Area
43.37
Rotatable Bonds
4
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