Molecule

ID:75765

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀BrNO
Molecular Mass
276.1286
Exact Mass
274.99457595
Charge
0
InChI
InChI=1S/C13H10BrNO/c14-11-6-4-5-10(9-11)13(16)15-12-7-2-1-3-8-12/h1-9H,(H,15,16)
InChIKey
SAGPZJDZARMYKP-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)C(=O)Nc1ccccc1
Isomeric Smiles
N(c1ccccc1)C(=O)c1cc(ccc1)Br
Calculated Properties
JChem
Acid pKa
12.029929
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.833883
LogD (pH = 7.4)
3.8338735
Log P
3.8338833
Molar Refractivity
69.2143
Polarizability
25.654636
Polar Surface Area
29.1
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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