الاسم: 4-[3-(6-Amino-pyridin-3-ylethynyl)-2-ethyl-pyridin-4-yl]-2-fluoro-benzoic acid
SMILES:
CCc1nccc(-c2ccc(C(=O)O)c(F)c2)c1C#Cc1ccc(N)nc1Molecular Processing
Molecular formula
C21H16FN3O2
Molecular weight
361.38
Exact mass
361.1227
XLogP
3.53
TPSA
89.1
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
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
0.095
Molar refractivity
100.6
Supplementary Information
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