Molecule

ID:32386

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅BrN₂O₂
Molecular Mass
347.2065
Exact Mass
346.03168973
Charge
0
InChI
InChI=1S/C16H15BrN2O2/c17-11-16(21)19-14-8-4-7-13(10-14)18-15(20)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,20)(H,19,21)
InChIKey
ZBMCDPLWNYWGJQ-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)Nc1cccc(c1)NC(=O)Cc1ccccc1
Isomeric Smiles
C(=O)(Nc1cc(NC(=O)CBr)ccc1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
13.234323
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.0058455
LogD (pH = 7.4)
3.0058448
Log P
3.0058455
Molar Refractivity
88.2426
Polarizability
32.345985
Polar Surface Area
58.2
Rotatable Bonds
5
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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