SMILES:
O=C(NCC(CC1CC1)c1cnc(C(F)(F)F)nc1)c1cccc(Cl)c1ClMolecular Processing
Molecular formula
C18H16Cl2F3N3O
Molecular weight
418.25
Exact mass
417.0623
XLogP
5.12
TPSA
54.88
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
95.91
Supplementary Information
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