Molecule

ID:77882

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆BNO₂
Molecular Mass
275.19414
Exact Mass
275.20565948
Charge
0
InChI
InChI=1S/C16H26BNO2/c1-7-18(8-2)14-11-9-13(10-12-14)17-19-15(3,4)16(5,6)20-17/h9-12H,7-8H2,1-6H3
InChIKey
WVPMYKCIKQQJIV-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)CC
Isomeric Smiles
N(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.8346095
LogD (pH = 7.4)
4.8496056
Log P
4.8498
Molar Refractivity
79.6389
Polarizability
32.52062
Polar Surface Area
21.7
Rotatable Bonds
4
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
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References
Bioactivity
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