COC(=O)N(Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC
SMILES: COC(=O)N(Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC

Molecular Processing

Molecular formula
C28H26F6N2O5
Molecular weight
584.51
Exact mass
584.1746
XLogP
8.2
TPSA
81.91
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
41
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
137.27

Supplementary Information

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