SMILES:
CC1(c2ccccc2)OC(CC(SCCCO)c2ccsc2)=CC1=OMolecular Processing
Molecular formula
C20H22O3S2
Molecular weight
374.53
Exact mass
374.101
XLogP
4.69
TPSA
46.53
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
25
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
0.35
Molar refractivity
103.81
Supplementary Information
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