이름: 4-bromo-2-iodo-1-phenylsulfonyl-1H-pyrrolo[2,3-b]pyridine
SMILES:
O=S(=O)(c1ccccc1)n1c(I)cc2c(Br)ccnc21Molecular Processing
Molecular formula
C13H8BrIN2O2S
Molecular weight
463.09
Exact mass
461.8535
XLogP
3.64
TPSA
51.96
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
89.18
Supplementary Information
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