Molecule

ID:84774

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂BNO₃
Molecular Mass
275.15108
Exact Mass
275.16927397
Charge
0
InChI
InChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)12-10-8-7-9-11(12)13(18)17(5)6/h7-10H,1-6H3
InChIKey
XJEYOVRUJJZKGI-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)c1ccccc1B1OC(C(O1)(C)C)(C)C)C
Isomeric Smiles
B1(c2c(cccc2)C(=O)N(C)C)OC(C)(C)C(O1)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0444999
LogD (pH = 7.4)
3.0445
Log P
3.0445
Molar Refractivity
74.5849
Polarizability
30.513338
Polar Surface Area
38.77
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
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Molecule Details
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References
Bioactivity
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