SMILES:
CSc1nc(N)nc(-c2ccc(Cl)cc2)c1C#NMolecular Processing
Molecular formula
C12H9ClN4S
Molecular weight
276.75
Exact mass
276.0236
XLogP
2.97
TPSA
75.59
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
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
73.39
Supplementary Information
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