Molecule

ID:77931

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄BNO₃S
Molecular Mass
309.23196
Exact Mass
309.15699503
Charge
0
InChI
InChI=1S/C15H24BNO3S/c1-14(2)15(3,4)20-16(19-14)12-9-13(21-11-12)10-17-5-7-18-8-6-17/h9,11H,5-8,10H2,1-4H3
InChIKey
AMUMGAXTCHBNPU-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1csc(c1)CN1CCOCC1
Isomeric Smiles
O1CCN(CC1)Cc1cc(cs1)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7372308
LogD (pH = 7.4)
3.2544265
Log P
3.2673
Molar Refractivity
80.2202
Polarizability
33.36841
Polar Surface Area
30.93
Rotatable Bonds
3
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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