SMILES:
Cc1ccc(-c2nc(SCc3ccccn3)n[nH]2)c(C)c1Molecular Processing
Molecular formula
C16H16N4S
Molecular weight
296.4
Exact mass
296.1096
XLogP
3.78
TPSA
54.46
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
85.09
Supplementary Information
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