SMILES:
O=C(Nc1nc(-c2ccncc2)cs1)c1ccn2c(=O)c(-c3nn[nH]n3)cnc2c1Molecular Processing
Molecular formula
C18H11N9O2S
Molecular weight
417.41
Exact mass
417.0756
XLogP
1.65
TPSA
143.71
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0
Molar refractivity
107.93
Supplementary Information
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