SMILES:
Nc1ccc2sc(-c3cccnc3)nc2c1Molecular Processing
Molecular formula
C12H9N3S
Molecular weight
227.29
Exact mass
227.0517
XLogP
2.94
TPSA
51.8
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
67.26
Supplementary Information
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