Molecule

ID:51571

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂BFN₂O₂
Molecular Mass
292.1567832
Exact Mass
292.17583657
Charge
0
InChI
InChI=1S/C15H22BFN2O2/c1-14(2)15(3,4)21-16(20-14)11-9-12(17)18-13(10-11)19-7-5-6-8-19/h9-10H,5-8H2,1-4H3
InChIKey
ZOUXTPYYXXRRDH-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(cc(n1)N1CCCC1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
c1c(nc(cc1B1OC(C(O1)(C)C)(C)C)N1CCCC1)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.4738
LogD (pH = 7.4)
4.4738
Log P
4.4738
Molar Refractivity
77.0704
Polarizability
30.55161
Polar Surface Area
34.59
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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