CC(C)c1ccc(Cl)c(-c2ccc([N+](=O)[O-])cc2CN2C(=O)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2C)c1
SMILES: CC(C)c1ccc(Cl)c(-c2ccc([N+](=O)[O-])cc2CN2C(=O)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2C)c1

Molecular Processing

Molecular formula
C28H23ClF6N2O4
Molecular weight
600.94
Exact mass
600.1251
XLogP
9.16
TPSA
72.68
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
41
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
138.3

Supplementary Information

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