Molecule

ID:73880

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BrNO₂
Molecular Mass
256.0959
Exact Mass
254.98949057
Charge
0
InChI
InChI=1S/C10H10BrNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13)
InChIKey
BDOHURFEYYDIQE-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)c1ccc(cc1)NC(=O)C
Isomeric Smiles
N(c1ccc(cc1)C(=O)CBr)C(=O)C
Calculated Properties
JChem
Acid pKa
13.767684
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4914428
LogD (pH = 7.4)
1.4914426
Log P
1.4914428
Molar Refractivity
59.0605
Polarizability
21.720976
Polar Surface Area
46.17
Rotatable Bonds
3
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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