Molecule

ID:88591

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉BN₂O₃
Molecular Mass
286.13396
Exact Mass
286.14887288
Charge
0
InChI
InChI=1S/C15H19BN2O3/c1-10-17-18-13(19-10)11-7-6-8-12(9-11)16-20-14(2,3)15(4,5)21-16/h6-9H,1-5H3
InChIKey
VAYBFKYRSDONPS-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc(o1)c1cccc(c1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
B1(c2cccc(c2)c2nnc(o2)C)OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.9427
LogD (pH = 7.4)
2.9427
Log P
2.9427
Molar Refractivity
86.181
Polarizability
31.148872
Polar Surface Area
57.38
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
No Data Available
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Molecule Details
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References
Bioactivity
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