Molecule

ID:107129

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅LaO₁₂S₃
Molecular Mass
514.2766
Exact Mass
513.87891692
Charge
0
InChI
InChI=1S/3C2H6O4S.La/c3*1-2-6-7(3,4)5;/h3*2H2,1H3,(H,3,4,5);/q;;;+3/p-3
InChIKey
ZOIQVLFCKCVMMS-UHFFFAOYSA-K
Canonic Smiles
CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[La+3]
Isomeric Smiles
[La+3].CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-]
Calculated Properties
JChem
Acid pKa
-2.082154
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.4831793
LogD (pH = 7.4)
-2.4831822
Log P
-0.106783345
Molar Refractivity
21.88
Polarizability
9.878701
Polar Surface Area
66.43
Rotatable Bonds
6
Lipinski's Rule of Five
false
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