SMILES:
C=CCOC(=O)C1=C(S(C)=O)C(C)C2C(C(C)O)C(=O)N12Molecular Processing
Molecular formula
C14H19NO5S
Molecular weight
313.38
Exact mass
313.0984
XLogP
0.16
TPSA
83.91
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
77.22
Supplementary Information
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