C[SH]1C=Cc2nc(Cl)nc(N)c21
SMILES: C[SH]1C=Cc2nc(Cl)nc(N)c21

Molecular Processing

Molecular formula
C7H8ClN3S
Molecular weight
201.68
Exact mass
201.0127
XLogP
1.69
TPSA
51.8
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
53.66

Supplementary Information

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