C[C@H]1C[C@H]2CON[C@@]2(c2cccc(C#N)c2)CO1
Name: 3-[(3aR,5S,7aS)-5-Methyltetrahydro-1H-pyrano[3,4-c][1,2]oxazol-7a(7H)-yl]benzonitrile
SMILES: C[C@H]1C[C@H]2CON[C@@]2(c2cccc(C#N)c2)CO1

Molecular Processing

Molecular formula
C14H16N2O2
Molecular weight
244.29
Exact mass
244.1212
XLogP
1.71
TPSA
54.28
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
65.44

Supplementary Information

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