SMILES:
CC1=C[C@H]2[C@@H](C1)C[C@@]2(CN)CC(=O)O.O=S(=O)(O)c1ccccc1Molecular Processing
Molecular formula
C17H23NO5S
Molecular weight
353.44
Exact mass
353.1297
XLogP
2.33
TPSA
117.69
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.471
Molar refractivity
89.97
Supplementary Information
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