SMILES:
COCC(C)Oc1cc(C#N)cc(Oc2ccc(S(C)(=O)=O)cc2)c1Molecular Processing
Molecular formula
C18H19NO5S
Molecular weight
361.42
Exact mass
361.0984
XLogP
3.17
TPSA
85.62
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
92.75
Supplementary Information
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Involved in 3 reactions→