Molecule

ID:32371

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂BrClN₂O₂
Molecular Mass
367.62498
Exact Mass
365.97706731
Charge
0
InChI
InChI=1S/C15H12BrClN2O2/c16-9-14(20)18-12-5-1-3-10(7-12)15(21)19-13-6-2-4-11(17)8-13/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKey
BCCOVEAHLSEJKQ-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)Cl
Isomeric Smiles
C(=O)(Nc1cc(Cl)ccc1)c1cc(NC(=O)CBr)ccc1
Calculated Properties
JChem
Acid pKa
11.273716
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.629724
LogD (pH = 7.4)
3.6296697
Log P
3.6297247
Molar Refractivity
88.996
Polarizability
32.44758
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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