CCC1CC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)=O)c2nc(Br)ccc2N1C(=O)OC(C)C
SMILES: CCC1CC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)=O)c2nc(Br)ccc2N1C(=O)OC(C)C

Molecular Processing

Molecular formula
C25H26BrF6N3O3
Molecular weight
610.39
Exact mass
609.1062
XLogP
7.51
TPSA
62.74
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
38
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
130.14

Supplementary Information

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