Molecule

ID:111251

General Information
Structure
MolImage
Molecular Formula
H₁₂N₃O₁₅Sm
Molecular Mass
444.46638
Exact Mass
445.9465737
Charge
0
InChI
InChI=1S/3NO3.6H2O.Sm/c3*2-1(3)4;;;;;;;/h;;;6*1H2;/q3*-1;;;;;;;+3
InChIKey
HDCOFJGRHQAIPE-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].O.O.O.O.O.O.[Sm+3]
Isomeric Smiles
O.O.O.O.O.O.[Sm+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
-1.3999903
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.3479722
LogD (pH = 7.4)
-2.3479848
Log P
0.028413763
Molar Refractivity
9.8534
Polarizability
3.4222581
Polar Surface Area
68.88
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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