Molecule

ID:16263

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃BN₂O₃
Molecular Mass
290.16572
Exact Mass
290.18017301
Charge
0
InChI
InChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)12-5-6-13(17-11-12)18-7-9-19-10-8-18/h5-6,11H,7-10H2,1-4H3
InChIKey
ZGDLVKWIZHHWIR-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc(nc1)N1CCOCC1
Isomeric Smiles
c1cc(cnc1N1CCOCC1)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.0334423
LogD (pH = 7.4)
3.206166
Log P
3.2089
Molar Refractivity
77.3728
Polarizability
31.572851
Polar Surface Area
43.82
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
References
Bioactivity
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