الاسم: 4-[2-Ethyl-3-(6-methylamino-pyridin-3-ylethynyl)-pyridin-4-yl]-2-fluoro-benzoic acid
SMILES:
CCc1nccc(-c2ccc(C(=O)O)c(F)c2)c1C#Cc1ccc(NC)nc1Molecular Processing
Molecular formula
C22H18FN3O2
Molecular weight
375.4
Exact mass
375.1383
XLogP
3.98
TPSA
75.11
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
105.73
Supplementary Information
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