SMILES:
Brc1cnc(OC2CN3CCC2CC3)nc1Molecular Processing
Molecular formula
C11H14BrN3O
Molecular weight
284.16
Exact mass
283.032
XLogP
1.71
TPSA
38.25
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
63.31
Supplementary Information
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