Molecule

ID:77703

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀BNO₂
Molecular Mass
257.1358
Exact Mass
257.15870929
Charge
0
InChI
InChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)12-7-6-11-8-9-17(5)13(11)10-12/h6-10H,1-5H3
InChIKey
AYJLGLUJQKZRDL-UHFFFAOYSA-N
Canonic Smiles
Cn1ccc2c1cc(cc2)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
O1B(c2ccc3c(c2)n(cc3)C)OC(C1(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2483
LogD (pH = 7.4)
4.2483
Log P
4.2483
Molar Refractivity
71.6963
Polarizability
31.017193
Polar Surface Area
23.39
Rotatable Bonds
1
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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