Molecule

ID:90238

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃BN₂O₄
Molecular Mass
306.16512
Exact Mass
306.17508763
Charge
0
InChI
InChI=1S/C15H23BN2O4/c1-14(2)15(3,4)22-16(21-14)11-7-9-12(10-8-11)17-13(19)18(5)20-6/h7-10H,1-6H3,(H,17,19)
InChIKey
VVAGLFFLRWVFLI-UHFFFAOYSA-N
Canonic Smiles
CON(C(=O)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
Isomeric Smiles
O1C(C)(C)C(C)(C)OB1c1ccc(cc1)NC(=O)N(OC)C
Calculated Properties
JChem
Acid pKa
11.514834
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.7188995
LogD (pH = 7.4)
3.7188675
Log P
3.7189
Molar Refractivity
80.3964
Polarizability
32.558918
Polar Surface Area
60.03
Rotatable Bonds
3
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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