SMILES:
COc1cc(-c2nc(-c3c(F)cccc3Cl)nn2C)ccc1Oc1ncc(C(F)(F)F)cc1ClMolecular Processing
Molecular formula
C22H14Cl2F4N4O2
Molecular weight
513.28
Exact mass
512.043
XLogP
6.81
TPSA
62.06
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
117.72
Supplementary Information
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