Molecule

ID:84764

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂BNO₄S
Molecular Mass
311.20478
Exact Mass
311.13625959
Charge
0
InChI
InChI=1S/C14H22BNO4S/c1-13(2)14(3,4)20-15(19-13)11-7-9-12(10-8-11)21(17,18)16(5)6/h7-10H,1-6H3
InChIKey
CTBRPVYZBIZUDQ-UHFFFAOYSA-N
Canonic Smiles
CN(S(=O)(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
Isomeric Smiles
B1(c2ccc(cc2)S(=O)(=O)N(C)C)OC(C)(C)C(O1)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.0266
LogD (pH = 7.4)
3.0266
Log P
3.0266
Molar Refractivity
77.6644
Polarizability
32.964558
Polar Surface Area
55.84
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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