Molecule

ID:65718

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇BN₂O₂
Molecular Mass
220.07588
Exact Mass
220.13830819
Charge
0
InChI
InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3,(H2,13,14)
InChIKey
YFTAUNOLAHRUIE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
c1(ccc(nc1)N)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.1370046
LogD (pH = 7.4)
2.496554
Log P
2.5039
Molar Refractivity
58.5701
Polarizability
24.240517
Polar Surface Area
57.37
Rotatable Bonds
1
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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