Molecule

ID:112032

General Information
Structure
MolImage
Molecular Formula
C₂NbO₄
Molecular Mass
180.92538
Exact Mass
180.88603648
Charge
0
InChI
InChI=1S/C2H2O4.Nb/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
InChIKey
NAIRZPRKOQHYBO-UHFFFAOYSA-L
Canonic Smiles
[O-]C(=O)C(=O)[O-].[Nb+2]
Isomeric Smiles
[Nb+2].[O-]C(=O)C(=O)[O-]
Calculated Properties
JChem
Acid pKa
1.3639908
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-5.101814
LogD (pH = 7.4)
-6.8848467
Log P
-0.26375157
Molar Refractivity
36.1128
Polarizability
5.6277657
Polar Surface Area
80.26
Rotatable Bonds
1
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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