名称: (±)-(3aR*,7aS*)-7a-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-hexahydropyrano[3,4-c]isoxazole
SMILES:
FC1(F)Oc2cccc([C@]34COCC[C@H]3CON4)c2O1Molecular Processing
Molecular formula
C13H13F2NO4
Molecular weight
285.25
Exact mass
285.0813
XLogP
1.77
TPSA
48.95
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
20
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
62.34
Supplementary Information
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