COc1cc(-c2nnc3n2CCCC3(Oc2cc(F)c(F)c(F)c2)C(O)C(F)(F)F)ccc1-c1cnc(C)o1
SMILES: COc1cc(-c2nnc3n2CCCC3(Oc2cc(F)c(F)c(F)c2)C(O)C(F)(F)F)ccc1-c1cnc(C)o1

Molecular Processing

Molecular formula
C25H20F6N4O4
Molecular weight
554.45
Exact mass
554.1389
XLogP
5.33
TPSA
95.43
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
122.16

Supplementary Information

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