COC(=O)/C(O)=C/C(=O)c1ccc(SC)cc1
SMILES: COC(=O)/C(O)=C/C(=O)c1ccc(SC)cc1

Molecular Processing

Molecular formula
C12H12O4S
Molecular weight
252.29
Exact mass
252.0456
XLogP
2.21
TPSA
63.6
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
65.28

Supplementary Information

Fetching details…

Involved in 7 reactions→

Extended Search

Substructure Search→Similarity Search→