Molecule

ID:76543

General Information
Structure
MolImage
Molecular Formula
CaH₈N₂O₁₀
Molecular Mass
236.14892
Exact Mass
235.98048545
Charge
0
InChI
InChI=1S/Ca.2NO3.4H2O/c;2*2-1(3)4;;;;/h;;;4*1H2/q+2;2*-1;;;;
InChIKey
ICSSIKVYVJQJND-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)[O-].[O-][N+](=O)[O-].[Ca+2].O.O.O.O
Isomeric Smiles
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.[Ca+2]
Calculated Properties
JChem
LogD (pH = 7.4)
-2.57
LogD (pH = 5.5)
-2.57
Log P
-2.57
Rotatable Bonds
0
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
-9.94
Polar Surface Area
66.20
Polarizability
3.28
Molar Refractivity
8.35
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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