Molecule

ID:111250

General Information
Structure
MolImage
Molecular Formula
C₃O₉Sm₂
Molecular Mass
480.7467
Exact Mass
483.79369558
Charge
0
InChI
InChI=1S/3CH2O3.2Sm/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6
InChIKey
QCZFMLDHLOYOQJ-UHFFFAOYSA-H
Canonic Smiles
[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].[Sm+3].[Sm+3]
Isomeric Smiles
[Sm+3].[Sm+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-]
Calculated Properties
JChem
Acid pKa
6.0525417
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.142811
LogD (pH = 7.4)
-1.1138874
Log P
0.25005138
Molar Refractivity
31.1724
Polarizability
3.6386902
Polar Surface Area
63.19
Rotatable Bonds
0
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