Name: {4-Hydroxy-3-[4-nitro-2-(2,2,2-trifluoro-ethylsulfanylmethyl)-phenoxy]-phenyl}-acetic acid
SMILES:
O=C(O)Cc1ccc(O)c(Oc2ccc([N+](=O)[O-])cc2CSCC(F)(F)F)c1Molecular Processing
Molecular formula
C17H14F3NO6S
Molecular weight
417.36
Exact mass
417.0494
XLogP
4.52
TPSA
109.9
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
94.83
Supplementary Information
Details werden geladen…
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