이름: 2-{[4-chloro-3-(trifluoromethyl)phenylamino)-1-methylbenzimidazol-5-yloxy)pyridine-2-carboxylic acid
SMILES:
Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)nc2cc(OC3(C(=O)O)C=CC=CN3)ccc21Molecular Processing
Molecular formula
C21H16ClF3N4O3
Molecular weight
464.83
Exact mass
464.0863
XLogP
4.82
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
112.86
Supplementary Information
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