Name: 4-isopropyl-6-methoxysaccharin
SMILES:
COc1cc(C(C)C)c2c(c1)S(=O)(=O)NC2=OMolecular Processing
Molecular formula
C11H13NO4S
Molecular weight
255.29
Exact mass
255.0565
XLogP
1.25
TPSA
72.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
61.74
Supplementary Information
Details werden geladen…
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