Molecule

ID:126494

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁Cl₃O₆
Molecular Mass
309.52834
Exact Mass
307.96212111
Charge
0
InChI
InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2
InChIKey
OJYGBLRPYBAHRT-UHFFFAOYSA-N
Canonic Smiles
OCC(C1OC2C(C1O)OC(O2)C(Cl)(Cl)Cl)O
Isomeric Smiles
OCC(O)C1OC2OC(OC2C1O)C(Cl)(Cl)Cl
Calculated Properties
JChem
Acid pKa
12.800186
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
0.08322292
LogD (pH = 7.4)
0.08322121
Log P
0.08322294
Molar Refractivity
58.1489
Polarizability
24.079504
Polar Surface Area
88.38
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