CNC(=S)C(C)(C#N)c1ccc(-n2ccnc2)cc1
SMILES: CNC(=S)C(C)(C#N)c1ccc(-n2ccnc2)cc1

Molecular Processing

Molecular formula
C14H14N4S
Molecular weight
270.36
Exact mass
270.0939
XLogP
2.2
TPSA
53.64
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
78.19

Supplementary Information

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