SMILES:
CCCN[C@H]1CCc2nc(N)sc2C1.ClMolecular Processing
Molecular formula
C10H18ClN3S
Molecular weight
247.79
Exact mass
247.091
XLogP
2
TPSA
50.94
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.7
Molar refractivity
67.88
Supplementary Information
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