Nombre: compound
SMILES:
CCOC(=O)c1ccc2c(c1)C(SC)C(=O)N2Molecular Processing
Molecular formula
C12H13NO3S
Molecular weight
251.31
Exact mass
251.0616
XLogP
2.22
TPSA
55.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
67.28
Supplementary Information
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