Molecule

ID:76994

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆BNO₂
Molecular Mass
323.23694
Exact Mass
323.20565948
Charge
0
InChI
InChI=1S/C20H26BNO2/c1-19(2)20(3,4)24-21(23-19)18-13-9-8-12-17(18)15-22-14-16-10-6-5-7-11-16/h5-13,22H,14-15H2,1-4H3
InChIKey
HBPOPQBBBLJNPW-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccccc1CNCc1ccccc1
Isomeric Smiles
O1B(c2c(cccc2)CNCc2ccccc2)OC(C1(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.066092
LogD (pH = 7.4)
3.7734659
Log P
5.2025
Molar Refractivity
93.5737
Polarizability
38.851692
Polar Surface Area
30.49
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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