Molecule

ID:87724

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BNO₄S
Molecular Mass
251.0667
Exact Mass
251.04235921
Charge
0
InChI
InChI=1S/C10H10BNO4S/c13-11(14)9-3-5-10(6-4-9)17(15,16)12-7-1-2-8-12/h1-8,13-14H
InChIKey
ONVBIHCHPHSAMF-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
8.451331
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.8841171
LogD (pH = 7.4)
1.8478214
Log P
1.8846
Molar Refractivity
58.3826
Polarizability
24.988487
Polar Surface Area
79.53
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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