SMILES:
COC(=O)Cc1ccccc1C1SCCS1Molecular Processing
Molecular formula
C12H14O2S2
Molecular weight
254.38
Exact mass
254.0435
XLogP
2.88
TPSA
26.3
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
69.82
Supplementary Information
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