SMILES:
O=C(NCC(CC1(C(F)(F)F)CC1)c1cnc(C(F)(F)F)nc1)c1cccc(F)c1ClMolecular Processing
Molecular formula
C19H15ClF7N3O
Molecular weight
469.79
Exact mass
469.0792
XLogP
5.53
TPSA
54.88
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
95.86
Supplementary Information
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