이름: 6-hydroxy-4-isopropylsaccharin
SMILES:
CC(C)c1cc(O)cc2c1C(=O)NS2(=O)=OMolecular Processing
Molecular formula
C10H11NO4S
Molecular weight
241.27
Exact mass
241.0409
XLogP
0.95
TPSA
83.47
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
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
0.3
Molar refractivity
56.85
Supplementary Information
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