Molecule

ID:104541

General Information
Structure
MolImage
Molecular Formula
B₄H₉K₂O₁₁
Molecular Mass
306.50546
Exact Mass
306.97912107
Charge
0
InChI
InChI=1S/B4O7.2K.4H2O/c5-1-8-3-10-4(11-3)9-2(6)7;;;;;;/h;;;4*1H2/q-2;2*+1;;;;
InChIKey
FZICZLCGJZRAHS-UHFFFAOYSA-N
Canonic Smiles
O=[BH]OB1OB(O1)OB([O-])[O-].O.O.O.O.[K+].[K+]
Isomeric Smiles
O.O.O.O.[K+].[K+].[O-]B([O-])OB1OB(O[BH]=O)O1
Calculated Properties
JChem
Acid pKa
8.6113825
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
4.060666
LogD (pH = 7.4)
4.035236
Log P
4.061
Molar Refractivity
9.7295
Polarizability
11.519075
Polar Surface Area
100.11
Rotatable Bonds
4
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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