名称: product
SMILES:
COc1cc(OC)c(CN2CC(=O)N(CC(F)(F)F)c3ccccc3C2=O)c(OC)c1Molecular Processing
Molecular formula
C21H21F3N2O5
Molecular weight
438.4
Exact mass
438.1403
XLogP
3.26
TPSA
68.31
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
105.69
Supplementary Information
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