SMILES:
c1nc(SCC2CCC2)n[nH]1Molecular Processing
Molecular formula
C7H11N3S
Molecular weight
169.25
Exact mass
169.0674
XLogP
1.7
TPSA
41.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
11
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
44.45
Supplementary Information
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