Molecule

ID:100751

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃BFNO₄
Molecular Mass
323.1675232
Exact Mass
323.17041684
Charge
0
InChI
InChI=1S/C16H23BFNO4/c1-15(2,3)23-14(20)19-13-7-6-11(18)8-12(13)17-21-9-16(4,5)10-22-17/h6-8H,9-10H2,1-5H3,(H,19,20)
InChIKey
NDJMNNBHOSICOK-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)Nc1ccc(cc1B1OCC(CO1)(C)C)F
Isomeric Smiles
Fc1cc(c(cc1)NC(=O)OC(C)(C)C)B1OCC(CO1)(C)C
Calculated Properties
JChem
Acid pKa
12.561004
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.0019
LogD (pH = 7.4)
5.001897
Log P
5.0019
Molar Refractivity
81.7324
Polarizability
32.950462
Polar Surface Area
56.79
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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