Molecule

ID:59517

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈BNO₃S
Molecular Mass
255.14152
Exact Mass
255.11004484
Charge
0
InChI
InChI=1S/C11H18BNO3S/c1-7-8(17-9(13-7)14-6)12-15-10(2,3)11(4,5)16-12/h1-6H3
InChIKey
YAAVBXCJRVCMDH-UHFFFAOYSA-N
Canonic Smiles
COc1nc(c(s1)B1OC(C(O1)(C)C)(C)C)C
Isomeric Smiles
c1(B2OC(C(O2)(C)C)(C)C)sc(nc1C)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.0026
LogD (pH = 7.4)
3.0026
Log P
3.0026
Molar Refractivity
60.6094
Polarizability
26.114214
Polar Surface Area
40.58
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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