Molecule

ID:97969

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇BFNO₃
Molecular Mass
265.0883832
Exact Mass
265.12855203
Charge
0
InChI
InChI=1S/C13H17BFNO3/c15-11-7-9(6-10(8-11)14(18)19)13(17)16-12-4-2-1-3-5-12/h6-8,12,18-19H,1-5H2,(H,16,17)
InChIKey
DYUMHPWTMLPIFV-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(cc(c1)B(O)O)C(=O)NC1CCCCC1
Isomeric Smiles
B(c1cc(cc(c1)F)C(=O)NC1CCCCC1)(O)O
Calculated Properties
JChem
Acid pKa
8.444753
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
2.2615097
LogD (pH = 7.4)
2.2246847
Log P
2.262
Molar Refractivity
65.8092
Polarizability
26.391058
Polar Surface Area
69.56
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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