SMILES:
CSc1nccc(-n2cnc3ccc(N)cc32)n1Molecular Processing
Molecular formula
C12H11N5S
Molecular weight
257.32
Exact mass
257.0735
XLogP
2.12
TPSA
69.62
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
72.85
Supplementary Information
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