Molecule

ID:32308

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BrN₂O₂
Molecular Mass
271.11054
Exact Mass
270.0003896
Charge
0
InChI
InChI=1S/C10H11BrN2O2/c1-12-10(15)7-4-2-3-5-8(7)13-9(14)6-11/h2-5H,6H2,1H3,(H,12,15)(H,13,14)
InChIKey
RCBDMVZLSOHACI-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)Nc1ccccc1C(=O)NC
Isomeric Smiles
c1(c(NC(=O)CBr)cccc1)C(=O)NC
Calculated Properties
JChem
Acid pKa
12.274302
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6581115
LogD (pH = 7.4)
1.6581061
Log P
1.6581116
Molar Refractivity
62.6328
Polarizability
22.716085
Polar Surface Area
58.2
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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