SMILES:
Brc1cnc(OC2CCN3CCCC2C3)nc1Molecular Processing
Molecular formula
C12H16BrN3O
Molecular weight
298.18
Exact mass
297.0477
XLogP
2.1
TPSA
38.25
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
67.93
Supplementary Information
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