Molecule

ID:71331

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀BNO₄S
Molecular Mass
215.0346
Exact Mass
215.04235921
Charge
0
InChI
InChI=1S/C7H10BNO4S/c1-14(12,13)9-7-5-3-2-4-6(7)8(10)11/h2-5,9-11H,1H3
InChIKey
RPRMOEFOTPSWBO-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccccc1NS(=O)(=O)C)O
Isomeric Smiles
S(=O)(=O)(Nc1c(B(O)O)cccc1)C
Calculated Properties
JChem
Acid pKa
8.000963
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.14500669
LogD (pH = 7.4)
0.0488426
Log P
0.1463
Molar Refractivity
47.2867
Polarizability
20.741909
Polar Surface Area
86.63
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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