CC1(N2CCC(n3c(=O)[nH]c4cc(C(F)(F)F)c(Br)cc43)CC2)CCOCC1
SMILES: CC1(N2CCC(n3c(=O)[nH]c4cc(C(F)(F)F)c(Br)cc43)CC2)CCOCC1

Molecular Processing

Molecular formula
C19H23BrF3N3O2
Molecular weight
462.31
Exact mass
461.0926
XLogP
4.32
TPSA
50.26
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
103.56

Supplementary Information

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