Molecule

ID:107426

General Information
Structure
MolImage
Molecular Formula
C₃Gd₂O₉
Molecular Mass
494.5267
Exact Mass
495.80243758
Charge
0
InChI
InChI=1S/3CH2O3.2Gd/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6
InChIKey
RQXZRSYWGRRGCD-UHFFFAOYSA-H
Canonic Smiles
[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].[Gd+3].[Gd+3]
Isomeric Smiles
[Gd+3].[Gd+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