Molecule

ID:59783

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀BrNO₃
Molecular Mass
284.106
Exact Mass
282.98440519
Charge
0
InChI
InChI=1S/C11H10BrNO3/c12-8-3-1-2-4-9(8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)
InChIKey
PQRRNWXQURZXGP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N(C1)c1ccccc1Br
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)O)c1c(Br)cccc1
Calculated Properties
JChem
Acid pKa
3.2059565
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8222663
LogD (pH = 7.4)
-1.9949595
Log P
1.4494299
Molar Refractivity
60.6409
Polarizability
23.487185
Polar Surface Area
57.61
Rotatable Bonds
2
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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