Name: 5-fluoro-3-iodo-1-tosyl-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
SMILES:
Cc1ccc(S(=O)(=O)n2cc(I)c3c(C=O)c(F)cnc32)cc1Molecular Processing
Molecular formula
C15H10FIN2O3S
Molecular weight
444.23
Exact mass
443.9441
XLogP
3.14
TPSA
69.03
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
91.56
Supplementary Information
Details werden geladen…
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