SMILES:
COC(=O)C(CC1CCCC1)n1ncc(Cc2ccccc2C(F)(F)F)cc1=OMolecular Processing
Molecular formula
C21H23F3N2O3
Molecular weight
408.42
Exact mass
408.1661
XLogP
4.15
TPSA
61.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
100.38
Supplementary Information
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