SMILES:
N#Cc1sc(Nc2ccccn2)nc1-c1cn[nH]c1Molecular Processing
Molecular formula
C12H8N6S
Molecular weight
268.31
Exact mass
268.0531
XLogP
2.54
TPSA
90.28
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
71.93
Supplementary Information
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