Molecule

ID:84192

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆BrNO
Molecular Mass
270.16554
Exact Mass
269.04152614
Charge
0
InChI
InChI=1S/C12H16BrNO/c1-12(2,3)14-11(15)10(13)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,14,15)
InChIKey
VXEFRBVOWZKXBA-UHFFFAOYSA-N
Canonic Smiles
BrC(c1ccccc1)C(=O)NC(C)(C)C
Isomeric Smiles
N(C(=O)C(c1ccccc1)Br)C(C)(C)C
Calculated Properties
JChem
Acid pKa
13.147655
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.906616
LogD (pH = 7.4)
2.9066153
Log P
2.906616
Molar Refractivity
65.2628
Polarizability
25.234837
Polar Surface Area
29.1
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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