SMILES:
CCS(=O)(=O)N(C)C1c2cc(C#N)ccc2OCCC1OMolecular Processing
Molecular formula
C14H18N2O4S
Molecular weight
310.38
Exact mass
310.0987
XLogP
1.02
TPSA
90.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
77.24
Supplementary Information
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