이름: title compound
SMILES:
Cc1n[nH]cc1-c1nsc(Nc2ccccn2)n1Molecular Processing
Molecular formula
C11H10N6S
Molecular weight
258.31
Exact mass
258.0688
XLogP
2.38
TPSA
79.38
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
18
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
0.091
Molar refractivity
69.75
Supplementary Information
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