CC1(c2ccccc2)OC(CC(SCCCCCS)c2ccsc2)=CC1=O
SMILES: CC1(c2ccccc2)OC(CC(SCCCCCS)c2ccsc2)=CC1=O

Molecular Processing

Molecular formula
C22H26O2S3
Molecular weight
418.65
Exact mass
418.1095
XLogP
6.41
TPSA
26.3
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
119.81

Supplementary Information

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