O=C(CN1C(=O)CSC1=O)c1ccc([N+](=O)[O-])cc1
Name: 3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
SMILES: O=C(CN1C(=O)CSC1=O)c1ccc([N+](=O)[O-])cc1

Molecular Processing

Molecular formula
C11H8N2O5S
Molecular weight
280.26
Exact mass
280.0154
XLogP
1.47
TPSA
97.59
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
66.99

Supplementary Information

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