Name: 4-[1-(4-pentafluoroethyloxy-phenyl)-1H-[1,2,4]triazol-3-yl]-benzoic acid
SMILES:
O=C(O)c1ccc(-c2ncn(-c3ccc(OC(F)(F)C(F)(F)F)cc3)n2)cc1Molecular Processing
Molecular formula
C17H10F5N3O3
Molecular weight
399.28
Exact mass
399.0642
XLogP
4.17
TPSA
77.24
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
85.38
Supplementary Information
Details werden geladen…
An 14 Reaktionen beteiligt→