SMILES:
Cc1c(SCc2ccco2)ccnc1CClMolecular Processing
Molecular formula
C12H12ClNOS
Molecular weight
253.75
Exact mass
253.0328
XLogP
4.01
TPSA
26.03
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
66.8
Supplementary Information
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