Molecule

ID:109665

General Information
Structure
MolImage
Molecular Formula
BaO₃Zr
Molecular Mass
276.5492
Exact Mass
275.79469486
Charge
0
InChI
InChI=1S/Ba.3O.Zr/q+2;;2*-1;
InChIKey
DQBAOWPVHRWLJC-UHFFFAOYSA-N
Canonic Smiles
[O-][Zr](=O)[O-].[Ba+2]
Isomeric Smiles
[Ba+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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation