SMILES:
COC(=O)c1sc2ccc(OC)cc2c1OC(C)C#NMolecular Processing
Molecular formula
C14H13NO4S
Molecular weight
291.33
Exact mass
291.0565
XLogP
2.99
TPSA
68.55
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
75.42
Supplementary Information
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