O=C1N(Cc2ncccc2C(F)(F)F)c2ccccc2C12COc1cc3c(cc12)OCCC3
SMILES: O=C1N(Cc2ncccc2C(F)(F)F)c2ccccc2C12COc1cc3c(cc12)OCCC3

Molecular Processing

Molecular formula
C25H19F3N2O3
Molecular weight
452.43
Exact mass
452.1348
XLogP
4.65
TPSA
51.66
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
33
Rings
6
Aromatic rings
3
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
113.4

Supplementary Information

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