O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1F
SMILES: O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1F

Molecular Processing

Molecular formula
C18H9ClF3N3O3
Molecular weight
407.74
Exact mass
407.0285
XLogP
4.51
TPSA
73.34
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.056
Molar refractivity
93.03

Supplementary Information

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