SMILES:
O=C([O-])C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21Molecular Processing
Molecular formula
C26H25F3NO3-
Molecular weight
456.48
Exact mass
456.1792
XLogP
5.59
TPSA
65.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
-1
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
115.97
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→