SMILES:
CN1CCc2nc(N)sc2C1Molecular Processing
Molecular formula
C7H11N3S
Molecular weight
169.25
Exact mass
169.0674
XLogP
0.71
TPSA
42.15
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
46.56
Supplementary Information
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