Molecule

ID:23726

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂BNO₃
Molecular Mass
263.14038
Exact Mass
263.16927397
Charge
0
InChI
InChI=1S/C14H22BNO3/c1-10(2)17-12-11(8-7-9-16-12)15-18-13(3,4)14(5,6)19-15/h7-10H,1-6H3
InChIKey
DLFPLUKZBSELRD-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ncccc1B1OC(C(O1)(C)C)(C)C)C
Isomeric Smiles
c1cnc(c(c1)B1OC(C(O1)(C)C)(C)C)OC(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.7899086
LogD (pH = 7.4)
3.7899988
Log P
3.79
Molar Refractivity
69.5003
Polarizability
29.307514
Polar Surface Area
40.58
Rotatable Bonds
3
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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