SMILES:
Cc1c(SCCN2CCOCC2)ccnc1CClMolecular Processing
Molecular formula
C13H19ClN2OS
Molecular weight
286.83
Exact mass
286.0907
XLogP
2.55
TPSA
25.36
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
76.51
Supplementary Information
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