Molecule

ID:70867

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀BrNO
Molecular Mass
276.1286
Exact Mass
274.99457595
Charge
0
InChI
InChI=1S/C13H10BrNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,15H2
InChIKey
WIISOMGJWLLMDG-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)C(=O)c1ccccc1N
Isomeric Smiles
C(=O)(c1c(cccc1)N)c1ccc(cc1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.0221195
LogD (pH = 7.4)
4.022422
Log P
4.0224257
Molar Refractivity
68.9567
Polarizability
25.82694
Polar Surface Area
43.09
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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