O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2ccccc2CNc2c(F)c(F)nc(F)c2F)CC1
SMILES: O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2ccccc2CNc2c(F)c(F)nc(F)c2F)CC1

Molecular Processing

Molecular formula
C25H19F10N5O
Molecular weight
595.44
Exact mass
595.143
XLogP
6.64
TPSA
60.5
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
41
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
127.09

Supplementary Information

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