SMILES:
O=C(SCCC(=O)N1C(C(=O)O)CSC1c1ccccc1O)c1ccccc1Molecular Processing
Molecular formula
C20H19NO5S2
Molecular weight
417.51
Exact mass
417.0705
XLogP
3.38
TPSA
94.91
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
109.42
Supplementary Information
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