SMILES:
O=C(NCC(CC1(C(F)(F)F)CC1)c1ccc(C(F)(F)F)nc1)c1ccccc1ClMolecular Processing
Molecular formula
C20H17ClF6N2O
Molecular weight
450.81
Exact mass
450.0934
XLogP
6
TPSA
41.99
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
98.1
Supplementary Information
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