Molecule

ID:88285

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄BNO₄S
Molecular Mass
255.09846
Exact Mass
255.07365933
Charge
0
InChI
InChI=1S/C10H14BNO4S/c13-11(14)9-3-5-10(6-4-9)17(15,16)12-7-1-2-8-12/h3-6,13-14H,1-2,7-8H2
InChIKey
LSQCNEYLDWKDHO-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc(cc1)S(=O)(=O)N1CCCC1)O
Isomeric Smiles
B(c1ccc(cc1)S(=O)(=O)N1CCCC1)(O)O
Calculated Properties
JChem
Acid pKa
8.461018
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.0911278
LogD (pH = 7.4)
1.0556
Log P
1.0916
Molar Refractivity
60.0958
Polarizability
25.485292
Polar Surface Area
77.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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