SMILES:
O=C(NCC(CC1(C(F)(F)F)CC1)c1ccc(C2CC2)nc1)c1cccc(Cl)c1ClMolecular Processing
Molecular formula
C22H21Cl2F3N2O
Molecular weight
457.32
Exact mass
456.0983
XLogP
6.51
TPSA
41.99
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
110.09
Supplementary Information
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