Molecule

ID:90607

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃BN₂O₃
Molecular Mass
314.18712
Exact Mass
314.18017301
Charge
0
InChI
InChI=1S/C17H23BN2O3/c1-16(2)17(3,4)23-18(22-16)14-6-8-15(9-7-14)21-13-12-20-11-5-10-19-20/h5-11H,12-13H2,1-4H3
InChIKey
RHYXZVARIISSFR-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc(cc1)OCCn1cccn1
Isomeric Smiles
n1cccn1CCOc1ccc(cc1)B1OC(C)(C)C(O1)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.79027
LogD (pH = 7.4)
3.7903984
Log P
3.7904
Molar Refractivity
95.1687
Polarizability
34.678936
Polar Surface Area
45.51
Rotatable Bonds
5
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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