Molecule

ID:134907

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₃
Molecular Mass
132.15768
Exact Mass
132.07864424
Charge
0
InChI
InChI=1S/C6H12O3/c1-7-5-3-4-6(8-2)9-5/h5-6H,3-4H2,1-2H3
InChIKey
GFISDBXSWQMOND-UHFFFAOYSA-N
Canonic Smiles
COC1CCC(O1)OC
Isomeric Smiles
C1CC(OC1OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6307491
LogD (pH = 7.4)
0.6307491
Log P
0.6307491
Molar Refractivity
32.3365
Polarizability
13.178978
Polar Surface Area
27.69
Rotatable Bonds
2
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