الاسم: 4-(4-bromophenyl)-piperazine-1-carboxylic acid ter-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2)CC1Molecular Processing
Molecular formula
C15H21BrN2O2
Molecular weight
341.25
Exact mass
340.0786
XLogP
3.51
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
84.16
Supplementary Information
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