Molecule

ID:72380

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆BrNO
Molecular Mass
318.20834
Exact Mass
317.04152614
Charge
0
InChI
InChI=1S/C16H16BrNO/c1-2-15(17)16(19)18(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKey
BZNPLKRJWGUICK-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)N(c1ccccc1)c1ccccc1)Br
Isomeric Smiles
C(=O)(N(c1ccccc1)c1ccccc1)C(Br)CC
Calculated Properties
JChem
Acid pKa
17.883133
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.5471063
LogD (pH = 7.4)
4.5471063
Log P
4.5471063
Molar Refractivity
80.5691
Polarizability
31.063105
Polar Surface Area
20.31
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
Molecule Details
References
Bioactivity
Navigation
2-bromo-N,N-diphenylbutanamide|2-bromo-N,N-diphenylbutanamide|2-Bromo-N,N-diphenylbutanamide | Molfinder