SMILES:
Brc1ccc(N2CCN(C3CC3)CC2)nc1Molecular Processing
Molecular formula
C12H16BrN3
Molecular weight
282.18
Exact mass
281.0528
XLogP
2.13
TPSA
19.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
68.75
Supplementary Information
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