Molecule

ID:64818

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉BrN₂O₂
Molecular Mass
269.09466
Exact Mass
267.98473954
Charge
0
InChI
InChI=1S/C10H9BrN2O2/c1-6-3-7(11)9-12-8(10(14)15-2)5-13(9)4-6/h3-5H,1-2H3
InChIKey
PEFZRFNEABRZOX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cn2c(n1)c(Br)cc(c2)C
Isomeric Smiles
c1c(cn2c(c1Br)nc(c2)C(=O)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2270713
LogD (pH = 7.4)
2.2310004
Log P
2.2310507
Molar Refractivity
60.2537
Polarizability
22.414999
Polar Surface Area
43.6
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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