Name: 3-(2-chloro-6-trifluoromethyl-pyrimidin-4-yl)-8-oxa-3-aza-bicyclo[3.2.1]octane
SMILES:
FC(F)(F)c1cc(N2CC3CCC(C2)O3)nc(Cl)n1Molecular Processing
Molecular formula
C11H11ClF3N3O
Molecular weight
293.68
Exact mass
293.0543
XLogP
2.52
TPSA
38.25
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
62.15
Supplementary Information
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