SMILES:
CCS(=O)C1=C(C(=O)OCc2ccccc2)N2C(=O)CC2C1Molecular Processing
Molecular formula
C16H17NO4S
Molecular weight
319.38
Exact mass
319.0878
XLogP
1.71
TPSA
63.68
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
81.82
Supplementary Information
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