SMILES:
OCCN1CCN2c3cccc(Br)c3C[C@@H]2C1Molecular Processing
Molecular formula
C13H17BrN2O
Molecular weight
297.2
Exact mass
296.0524
XLogP
1.49
TPSA
26.71
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
72.51
Supplementary Information
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