Nombre: 2-(3-fluoro-4-hydroxyphenyl)-5-(4-hexylphenyl)-1,3,4-thiadiazole
SMILES:
CCCCCCc1ccc(-c2nnc(-c3ccc(O)c(F)c3)s2)cc1Molecular Processing
Molecular formula
C20H21FN2OS
Molecular weight
356.47
Exact mass
356.1359
XLogP
5.84
TPSA
46.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
100.25
Supplementary Information
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