SMILES:
CN(C(=O)OC(C)(C)C)C1CCN(c2ccccc2Br)C1Molecular Processing
Molecular formula
C16H23BrN2O2
Molecular weight
355.28
Exact mass
354.0943
XLogP
3.89
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
88.76
Supplementary Information
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