이름: 4-(2-fluoro-4-iodophenylamino)-1H-indazole-5-carboxylic acid (2-vinyloxyethoxy)-amide
SMILES:
C=COCCONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1FMolecular Processing
Molecular formula
C18H16FIN4O3
Molecular weight
482.25
Exact mass
482.0251
XLogP
3.87
TPSA
88.27
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
108.06
Supplementary Information
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