Molecule

ID:104113

General Information
Structure
MolImage
Molecular Formula
B₅H₂₃NO₁₆
Molecular Mass
347.23472
Exact Mass
348.14821066
Charge
0
InChI
InChI=1S/B5O8.H3N.8H2O/c6-1-10-4(9)13-5(11-2-7)12-3-8;;;;;;;;;/h;1H3;8*1H2/q-1;;;;;;;;;/p+1
InChIKey
SWZYLMFBBWMBLN-UHFFFAOYSA-O
Canonic Smiles
O=[BH]OB(OB(O[BH]=O)O[BH]=O)[O-].[NH4+].O.O.O.O.O.O.O.O
Isomeric Smiles
[NH4+].O.O.O.O.O.O.O.O.[O-]B(O[BH]=O)OB(O[BH]=O)O[BH]=O
Calculated Properties
JChem
Acid pKa
8.493944
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
4.9939623
LogD (pH = 7.4)
4.9609466
Log P
4.9944
Molar Refractivity
11.1724
Polarizability
13.600154
Polar Surface Area
111.19
Rotatable Bonds
8
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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