이름: 2-{2-[3-(5-fluoro-pyridin-2-yl)-5-methyl-isoxazol-4-yl]-ethyl}-4-methyl-thiazole-5-carboxylic acid
SMILES:
Cc1nc(CCc2c(-c3ccc(F)cn3)noc2C)sc1C(=O)OMolecular Processing
Molecular formula
C16H14FN3O3S
Molecular weight
347.37
Exact mass
347.074
XLogP
3.43
TPSA
89.11
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
85.65
Supplementary Information
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