SMILES:
Nc1nc(-c2cccnc2)cs1Molecular Processing
Molecular formula
C8H7N3S
Molecular weight
177.23
Exact mass
177.0361
XLogP
1.79
TPSA
51.8
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
2
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
49.76
Supplementary Information
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