Molecule

ID:10786

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄BNO₄
Molecular Mass
235.04416
Exact Mass
235.10158833
Charge
0
InChI
InChI=1S/C11H14BNO4/c1-11(2)7-16-12(17-8-11)9-3-5-10(6-4-9)13(14)15/h3-6H,7-8H2,1-2H3
InChIKey
RRGGUJKPJNSZFX-UHFFFAOYSA-N
Canonic Smiles
CC1(C)COB(OC1)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1c(ccc(c1)B1OCC(CO1)(C)C)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.0314
LogD (pH = 7.4)
4.0314
Log P
4.0314
Molar Refractivity
58.5485
Polarizability
24.036905
Polar Surface Area
64.28
Rotatable Bonds
2
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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