Molecule

ID:87838

General Information
Structure
Molecular Formula
C₁₂H₁₀BrNO
Molecular Mass
264.1179
Exact Mass
262.99457595
Charge
0
InChI
InChI=1S/C12H10BrNO/c1-8(15)14-12-7-6-11(13)9-4-2-3-5-10(9)12/h2-7H,1H3,(H,14,15)
InChIKey
KAVKNHPXAMTURG-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(c2c1cccc2)Br
Isomeric Smiles
N(c1ccc(c2ccccc12)Br)C(=O)C
Calculated Properties
JChem
Acid pKa
13.567392
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9691856
LogD (pH = 7.4)
2.9691854
Log P
2.9691856
Molar Refractivity
64.994
Polarizability
25.390284
Polar Surface Area
29.1
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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