Molecule

ID:105467

General Information
Structure
MolImage
Molecular Formula
B₄H₂₀Na₂O₁₇
Molecular Mass
381.37214
Exact Mass
382.08680934
Charge
0
InChI
InChI=1S/B4H4O9.2Na.8H2O/c5-1-9-3(7)11-2(6)12-4(8,10-1)13-3;;;;;;;;;;/h5-8H;;;8*1H2/q-2;2*+1;;;;;;;;
InChIKey
OQSOCUIYOAGFKW-UHFFFAOYSA-N
Canonic Smiles
OB1O[B-]2(O)OB(O[B-](O1)(O2)O)O.[Na+].[Na+].O.O.O.O.O.O.O.O
Isomeric Smiles
O.O.O.O.O.O.O.O.[Na+].[Na+].OB1O[B-]2(O)OB(O)O[B-](O)(O1)O2
Calculated Properties
JChem
LogD (pH = 7.4)
-3.59
LogD (pH = 5.5)
-3.59
Log P
-3.59
Rotatable Bonds
0
H Donor
4
H Acceptors
9
Lipinski's Rule of Five
true
Acid pKa
9.35
Polar Surface Area
127.07
Polarizability
14.81
Molar Refractivity
17.01
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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