Molecule

ID:108148

General Information
Structure
MolImage
Molecular Formula
CaO₃Zr
Molecular Mass
179.3002
Exact Mass
177.85203884
Charge
0
InChI
InChI=1S/Ca.3O.Zr/q+2;;2*-1;
InChIKey
BJJVDFHQHSBAFC-UHFFFAOYSA-N
Canonic Smiles
[O-][Zr](=O)[O-].[Ca+2]
Isomeric Smiles
[Ca+2].[O-][Zr](=O)[O-]
Calculated Properties
JChem
Acid pKa
2.69897
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-3.578295
LogD (pH = 7.4)
-3.7371097
Log P
-1.4238
Molar Refractivity
4.3287
Polarizability
6.8657103
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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