SMILES:
O=C1CCC(CC(C(=O)Nc2ccn(CCO)n2)c2cccc(C(F)(F)F)c2)C1Molecular Processing
Molecular formula
C20H22F3N3O3
Molecular weight
409.41
Exact mass
409.1613
XLogP
3.38
TPSA
84.22
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
99.09
Supplementary Information
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