SMILES:
O=C1CN(c2ccc(I)cc2OCc2ccccc2)S(=O)(=O)N1Molecular Processing
Molecular formula
C15H13IN2O4S
Molecular weight
444.25
Exact mass
443.9641
XLogP
2.05
TPSA
75.71
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
94.34
Supplementary Information
Details werden geladen…
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