SMILES:
C=CC(=O)OCCSc1ccc(Sc2ccc(SCCOC(=O)C=C)cc2)cc1Molecular Processing
Molecular formula
C22H22O4S3
Molecular weight
446.62
Exact mass
446.068
XLogP
5.48
TPSA
52.6
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
120.77
Supplementary Information
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