SMILES:
CSc1ccc(N2CCOCC2)c(C(=O)O)c1Molecular Processing
Molecular formula
C12H15NO3S
Molecular weight
253.32
Exact mass
253.0773
XLogP
1.94
TPSA
49.77
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
68.21
Supplementary Information
Récupération des détails…
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