Molecule

ID:88586

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆BNO₄S
Molecular Mass
269.12504
Exact Mass
269.0893094
Charge
0
InChI
InChI=1S/C11H16BNO4S/c14-12(15)10-4-6-11(7-5-10)18(16,17)13-8-2-1-3-9-13/h4-7,14-15H,1-3,8-9H2
InChIKey
MIEADZYHESCCES-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc(cc1)S(=O)(=O)N1CCCCC1)O
Isomeric Smiles
B(c1ccc(cc1)S(=O)(=O)N1CCCCC1)(O)O
Calculated Properties
JChem
Acid pKa
8.461018
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.4874277
LogD (pH = 7.4)
1.4519
Log P
1.4879
Molar Refractivity
64.6968
Polarizability
27.317455
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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