الاسم: 4-Isopropyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid
SMILES:
CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OMolecular Processing
Molecular formula
C14H12F3NO2S
Molecular weight
315.32
Exact mass
315.0541
XLogP
4.65
TPSA
50.19
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
73.6
Supplementary Information
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