Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc3cc(F)c(F)cc3nc2N2CCCC2C2CCC(CC(=O)O)CC2)n1
SMILES: Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc3cc(F)c(F)cc3nc2N2CCCC2C2CCC(CC(=O)O)CC2)n1

Molecular Processing

Molecular formula
C33H33F8N7O2
Molecular weight
711.66
Exact mass
711.2568
XLogP
7.53
TPSA
100.27
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
50
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.485
Molar refractivity
164.86

Supplementary Information

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