SMILES:
CC(C)(C#N)c1csc(-c2ccnc3[nH]ncc23)n1Molecular Processing
Molecular formula
C13H11N5S
Molecular weight
269.33
Exact mass
269.0735
XLogP
2.88
TPSA
78.25
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
19
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
0.231
Molar refractivity
73.64
Supplementary Information
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