SMILES:
Brc1cnc(NC2=NCC3(CN4CCC3CC4)O2)nc1-c1ccccc1Molecular Processing
Molecular formula
C19H20BrN5O
Molecular weight
414.31
Exact mass
413.0851
XLogP
3.17
TPSA
62.64
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
26
Rings
6
Aromatic rings
2
Saturated rings
3
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
104.07
Supplementary Information
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