Molecule

ID:136290

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆BN₃O₄
Molecular Mass
265.07344
Exact Mass
265.12338641
Charge
0
InChI
InChI=1S/C11H16BN3O4/c1-13(2)15-6-4-5-9(15)12-18-10(16)7-14(3)8-11(17)19-12/h4-6H,7-8H2,1-3H3
InChIKey
MEXLEDYDGRSHHS-UHFFFAOYSA-N
Canonic Smiles
CN1CC(=O)OB(OC(=O)C1)c1cccn1N(C)C
Isomeric Smiles
B1(OC(=O)CN(CC(=O)O1)C)c1cccn1N(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.70312166
LogD (pH = 7.4)
0.70833313
Log P
0.7084
Molar Refractivity
64.2926
Polarizability
26.408419
Polar Surface Area
64.01
Rotatable Bonds
2
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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