CCC(CCOS(C)(=O)=O)(c1ccc(Cl)cc1)c1c[nH]c2c(CSC)cccc12
SMILES: CCC(CCOS(C)(=O)=O)(c1ccc(Cl)cc1)c1c[nH]c2c(CSC)cccc12

Molecular Processing

Molecular formula
C22H26ClNO3S2
Molecular weight
452.04
Exact mass
451.1043
XLogP
5.75
TPSA
59.16
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
123.45

Supplementary Information

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