Name: title product
SMILES:
COC1=NC(Cc2conc2C(F)(F)F)CCCC1Molecular Processing
Molecular formula
C12H15F3N2O2
Molecular weight
276.26
Exact mass
276.1086
XLogP
3.22
TPSA
47.62
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
61.91
Supplementary Information
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