Nombre: product
SMILES:
CCSc1ncc(C#N)c(N)n1Molecular Processing
Molecular formula
C7H8N4S
Molecular weight
180.24
Exact mass
180.047
XLogP
1.04
TPSA
75.59
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
47.56
Supplementary Information
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