Molecule

ID:72293

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BrN₃O
Molecular Mass
266.09402
Exact Mass
264.98507389
Charge
0
InChI
InChI=1S/C10H8BrN3O/c11-7-2-1-3-8(6-7)13-10(15)9-4-5-12-14-9/h1-6H,(H,12,14)(H,13,15)
InChIKey
QHEZFVSKYPVNPI-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)NC(=O)c1n[nH]cc1
Isomeric Smiles
[nH]1nc(cc1)C(=O)Nc1cccc(c1)Br
Calculated Properties
JChem
Acid pKa
10.207646
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.5239084
LogD (pH = 7.4)
2.5232658
Log P
2.5239177
Molar Refractivity
62.5297
Polarizability
22.6186
Polar Surface Area
57.78
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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