SMILES:
FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1COCC1CCCCC1Molecular Processing
Molecular formula
C19H21ClF3N3O
Molecular weight
399.84
Exact mass
399.1325
XLogP
5.99
TPSA
47.04
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
98
Supplementary Information
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