COc1cc(F)c(C(C)C)cc1-c1ccc([N+](=O)[O-])cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C
SMILES: COc1cc(F)c(C(C)C)cc1-c1ccc([N+](=O)[O-])cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

Molecular Processing

Molecular formula
C29H25F7N2O5
Molecular weight
614.51
Exact mass
614.1652
XLogP
8.65
TPSA
81.91
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
43
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
139.8

Supplementary Information

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