Molecule

ID:32401

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁BrClFN₂O₂
Molecular Mass
385.6154432
Exact Mass
383.9676455
Charge
0
InChI
InChI=1S/C15H11BrClFN2O2/c16-8-14(21)19-10-3-1-2-9(6-10)15(22)20-11-4-5-13(18)12(17)7-11/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKey
RJVQBTWAPSVSED-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)Nc1cccc(c1)C(=O)Nc1ccc(c(c1)Cl)F
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)F)Cl)c1cc(NC(=O)CBr)ccc1
Calculated Properties
JChem
Acid pKa
10.891059
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.772425
LogD (pH = 7.4)
3.7722936
Log P
3.7724266
Molar Refractivity
89.2124
Polarizability
32.28514
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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