SMILES:
Cl.NC1CCN(c2nccs2)C1Molecular Processing
Molecular formula
C7H12ClN3S
Molecular weight
205.71
Exact mass
205.044
XLogP
1.1
TPSA
42.15
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.571
Molar refractivity
54.17
Supplementary Information
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