SMILES:
CC(C#N)CCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1Molecular Processing
Molecular formula
C13H15N3O4S
Molecular weight
309.35
Exact mass
309.0783
XLogP
0.67
TPSA
110.5
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
75.61
Supplementary Information
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