COc1cc2c(cc1N1CCC(C)CC1)C/C(=C\c1cccc(C(F)(F)F)c1)C2=O
Name: 153
SMILES: COc1cc2c(cc1N1CCC(C)CC1)C/C(=C\c1cccc(C(F)(F)F)c1)C2=O

Molecular Processing

Molecular formula
C24H24F3NO2
Molecular weight
415.45
Exact mass
415.1759
XLogP
5.77
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
111.06

Supplementary Information

Details werden geladen…

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