Molecule

ID:130658

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉BrN₂O₃
Molecular Mass
285.09406
Exact Mass
283.97965416
Charge
0
InChI
InChI=1S/C10H9BrN2O3/c1-6(14)12-3-2-7-4-8(11)5-9(10(7)12)13(15)16/h4-5H,2-3H2,1H3
InChIKey
RCELVCGNAKOBPO-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2CCN(c2c(c1)[N+](=O)[O-])C(=O)C
Isomeric Smiles
CC(=O)N1CCc2c1c(cc(c2)Br)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8236476
LogD (pH = 7.4)
1.8236476
Log P
1.8236476
Molar Refractivity
61.2898
Polarizability
23.039965
Polar Surface Area
63.45
Rotatable Bonds
1
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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