Molecule

ID:126348

General Information
Structure
MolImage
Molecular Formula
CaN₂O₆
Molecular Mass
164.0878
Exact Mass
163.93822671
Charge
0
InChI
InChI=1S/Ca.2NO3/c;2*2-1(3)4/q+2;2*-1
InChIKey
ZCCIPPOKBCJFDN-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)[O-].[O-][N+](=O)[O-].[Ca+2]
Isomeric Smiles
[Ca+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-]
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
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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