Molecule

ID:32563

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃BN₂O₃
Molecular Mass
266.14432
Exact Mass
266.18017301
Charge
0
InChI
InChI=1S/C13H23BN2O3/c1-7-17-10(2)16-9-11(8-15-16)14-18-12(3,4)13(5,6)19-14/h8-10H,7H2,1-6H3
InChIKey
IZKVGEWCELXYRI-UHFFFAOYSA-N
Canonic Smiles
CCOC(n1ncc(c1)B1OC(C(O1)(C)C)(C)C)C
Isomeric Smiles
n1cc(cn1C(C)OCC)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7326834
LogD (pH = 7.4)
2.7326999
Log P
2.7327
Molar Refractivity
80.0604
Polarizability
28.87726
Polar Surface Area
45.51
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
References
Bioactivity
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