SMILES:
Cc1cc2c(s1)Nc1ccccc1N=C2NMolecular Processing
Molecular formula
C12H11N3S
Molecular weight
229.31
Exact mass
229.0674
XLogP
3.15
TPSA
50.41
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
69.17
Supplementary Information
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