SMILES:
CS(=O)(=O)NCCCOc1cc(I)c2c(c1Cl)CNC2=OMolecular Processing
Molecular formula
C12H14ClIN2O4S
Molecular weight
444.68
Exact mass
443.9408
XLogP
1.51
TPSA
84.5
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
88.3
Supplementary Information
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