Molecule

ID:88640

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆BNO₅
Molecular Mass
265.07014
Exact Mass
265.11215302
Charge
0
InChI
InChI=1S/C12H16BNO5/c1-2-19-11(15)7-8-14-12(16)9-3-5-10(6-4-9)13(17)18/h3-6,17-18H,2,7-8H2,1H3,(H,14,16)
InChIKey
KXZXCGXIKIEDCR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCNC(=O)c1ccc(cc1)B(O)O
Isomeric Smiles
O=C(c1ccc(cc1)B(O)O)NCCC(=O)OCC
Calculated Properties
JChem
Acid pKa
8.598258
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.63435555
LogD (pH = 7.4)
0.60816437
Log P
0.6347
Molar Refractivity
64.8803
Polarizability
26.394241
Polar Surface Area
95.86
Rotatable Bonds
7
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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