Molecule

ID:90237

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅BN₂O₃
Molecular Mass
304.1923
Exact Mass
304.19582307
Charge
0
InChI
InChI=1S/C16H25BN2O3/c1-6-11-18-14(20)19-13-9-7-12(8-10-13)17-21-15(2,3)16(4,5)22-17/h7-10H,6,11H2,1-5H3,(H2,18,19,20)
InChIKey
JSBXBESTMBFPFH-UHFFFAOYSA-N
Canonic Smiles
CCCNC(=O)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
O1C(C)(C)C(C)(C)OB1c1ccc(cc1)NC(=O)NCCC
Calculated Properties
JChem
Acid pKa
12.74818
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.0123
LogD (pH = 7.4)
4.012298
Log P
4.0123
Molar Refractivity
83.4221
Polarizability
33.69532
Polar Surface Area
59.59
Rotatable Bonds
4
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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