SMILES:
CS(=O)(=O)Nc1cc(C(O)CI)ccc1OCc1ccccc1Molecular Processing
Molecular formula
C16H18INO4S
Molecular weight
447.29
Exact mass
447.0001
XLogP
3.11
TPSA
75.63
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
23
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
0.25
Molar refractivity
99.53
Supplementary Information
Details werden geladen…
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