SMILES:
CCOC(=O)C(C)SCc1ccc(Cl)cc1Molecular Processing
Molecular formula
C12H15ClO2S
Molecular weight
258.77
Exact mass
258.0481
XLogP
3.52
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
68.84
Supplementary Information
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