名称: 2-{[2-fluro-5-(trifluromethyl)phenylamino)-1-methylbenzimidazol-5-yl-oxy)pyridine-2-carboxylic acid
SMILES:
Cn1c(Nc2cc(C(F)(F)F)ccc2F)nc2cc(OC3(C(=O)O)C=CC=CN3)ccc21Molecular Processing
Molecular formula
C21H16F4N4O3
Molecular weight
448.38
Exact mass
448.1159
XLogP
4.31
TPSA
88.41
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
107.81
Supplementary Information
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