Molecule

ID:112981

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀BrNO
Molecular Mass
298.2187
Exact Mass
297.07282627
Charge
0
InChI
InChI=1S/C14H20BrNO/c1-12-6-8-13(9-7-12)11-16-14(17)5-3-2-4-10-15/h6-9H,2-5,10-11H2,1H3,(H,16,17)
InChIKey
DHJZREVFLSEFSL-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCC(=O)NCc1ccc(cc1)C
Isomeric Smiles
C(=O)(NCc1ccc(cc1)C)CCCCCBr
Calculated Properties
JChem
Acid pKa
15.280722
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.568932
LogD (pH = 7.4)
3.5689325
Log P
3.5689325
Molar Refractivity
75.4095
Polarizability
28.807053
Polar Surface Area
29.1
Rotatable Bonds
7
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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