이름: 4-bromo-2-(3-formylphenyl)-1-phenylsulfonyl-1H-pyrrolo[2,3-b]pyridine
SMILES:
O=Cc1cccc(-c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)c1Molecular Processing
Molecular formula
C20H13BrN2O3S
Molecular weight
441.31
Exact mass
439.983
XLogP
4.52
TPSA
69.03
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
4
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
107.28
Supplementary Information
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