Molecule

ID:32391

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂BrFN₂O₂
Molecular Mass
351.1703832
Exact Mass
350.00661785
Charge
0
InChI
InChI=1S/C15H12BrFN2O2/c16-9-14(20)18-13-3-1-2-10(8-13)15(21)19-12-6-4-11(17)5-7-12/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKey
RIQPODNTBFSMRH-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)Nc1cccc(c1)C(=O)Nc1ccc(cc1)F
Isomeric Smiles
C(=O)(Nc1ccc(F)cc1)c1cc(NC(=O)CBr)ccc1
Calculated Properties
JChem
Acid pKa
11.489855
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.1683817
LogD (pH = 7.4)
3.1683486
Log P
3.168382
Molar Refractivity
84.4076
Polarizability
30.290207
Polar Surface Area
58.2
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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