SMILES:
Brc1ccc2nc(N3CCC(N4CCCCC4)C3)sc2c1Molecular Processing
Molecular formula
C16H20BrN3S
Molecular weight
366.33
Exact mass
365.0561
XLogP
4.12
TPSA
19.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
93.36
Supplementary Information
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