Name: compound
SMILES:
CC[C@H](CC(=O)O)Nc1ccc(C(F)(F)F)cc1Molecular Processing
Molecular formula
C12H14F3NO2
Molecular weight
261.24
Exact mass
261.0977
XLogP
3.37
TPSA
49.33
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
61.4
Supplementary Information
Details werden geladen…
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