SMILES:
COC(=O)c1sc2cccc(Cl)c2c1SC(C)CMolecular Processing
Molecular formula
C13H13ClO2S2
Molecular weight
300.83
Exact mass
300.0045
XLogP
4.84
TPSA
26.3
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
79.17
Supplementary Information
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