이름: 4-isopropyl-5,6-dimethoxysaccharin
SMILES:
COc1cc2c(c(C(C)C)c1OC)C(=O)NS2(=O)=OMolecular Processing
Molecular formula
C12H15NO5S
Molecular weight
285.32
Exact mass
285.0671
XLogP
1.26
TPSA
81.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
68.29
Supplementary Information
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