Molecule

ID:63173

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆BNO₂
Molecular Mass
299.21554
Exact Mass
299.20565948
Charge
0
InChI
InChI=1S/C18H26BNO2/c1-17(2)18(3,4)22-19(21-17)16-11-8-12-20(14-16)13-15-9-6-5-7-10-15/h5-7,9-11H,8,12-14H2,1-4H3
InChIKey
UGTKSTXDPAFDOM-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)C1=CCCN(C1)Cc1ccccc1
Isomeric Smiles
CC1(C)OB(C2=CCCN(C2)Cc2ccccc2)OC1(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.67907196
LogD (pH = 7.4)
2.4844205
Log P
3.643
Molar Refractivity
87.2718
Polarizability
35.653923
Polar Surface Area
21.7
Rotatable Bonds
3
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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