Molecule

ID:107020

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂BiN₃O₁₄
Molecular Mass
641.29518
Exact Mass
641.0905754
Charge
0
InChI
InChI=1S/2C6H8O7.Bi.3H3N/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;3*1H3/q;;+3;;;/p-3
InChIKey
VZZHAYFWMLLWGG-UHFFFAOYSA-K
Canonic Smiles
[O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.[O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.[NH4+].[NH4+].[NH4+].[Bi+3]
Isomeric Smiles
[NH4+].[NH4+].[NH4+].[Bi+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
Calculated Properties
JChem
Acid pKa
3.0479515
H Acceptors
7
H Donor
1
LogD (pH = 5.5)
-4.949584
LogD (pH = 7.4)
-9.468992
Log P
-1.3226875
Molar Refractivity
68.1352
Polarizability
14.119506
Polar Surface Area
140.62
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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