Name: 1-(4-bromophenyl)-4-[(4-aminophenyl)methyl]piperazine
SMILES:
Nc1ccc(CN2CCN(c3ccc(Br)cc3)CC2)cc1Molecular Processing
Molecular formula
C17H20BrN3
Molecular weight
346.27
Exact mass
345.0841
XLogP
3.35
TPSA
32.5
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
92.49
Supplementary Information
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