CCN(CC)CCCOc1ccc(C(=O)CBr)cc1
Name: 2-bromo-1-{4-[3-(diethylamino)propoxy]phenyl}ethanone
SMILES: CCN(CC)CCCOc1ccc(C(=O)CBr)cc1

Molecular Processing

Molecular formula
C15H22BrNO2
Molecular weight
328.25
Exact mass
327.0834
XLogP
3.37
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
82.47

Supplementary Information

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