Name: 4-(octyloxy)-3-(trifluoromethyl)benzoic acid
SMILES:
CCCCCCCCOc1ccc(C(=O)O)cc1C(F)(F)FMolecular Processing
Molecular formula
C16H21F3O3
Molecular weight
318.33
Exact mass
318.1443
XLogP
5.14
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
9
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
77.27
Supplementary Information
Details werden geladen…
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