Molecule

ID:99541

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁BF₃NO₃
Molecular Mass
309.0482496
Exact Mass
309.07840828
Charge
0
InChI
InChI=1S/C14H11BF3NO3/c16-14(17,18)11-3-1-2-4-12(11)19-13(20)9-5-7-10(8-6-9)15(21)22/h1-8,21-22H,(H,19,20)
InChIKey
GMSZJSZMTXJQRP-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)B(O)O)Nc1ccccc1C(F)(F)F
Isomeric Smiles
B(c1ccc(cc1)C(=O)Nc1c(cccc1)C(F)(F)F)(O)O
Calculated Properties
JChem
Acid pKa
8.54425
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
3.57811
LogD (pH = 7.4)
3.5485685
Log P
3.5785
Molar Refractivity
72.1107
Polarizability
27.26478
Polar Surface Area
69.56
Rotatable Bonds
4
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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