C[C@H]1C[C@@H](CO)[C@](N)(c2cccc(C#N)c2)CO1
Name: 3-[(3S,4R,6S)-3-Amino-4-(hydroxymethyl)-6-methyltetrahydro-2H-pyran-3-yl]benzonitrile
SMILES: C[C@H]1C[C@@H](CO)[C@](N)(c2cccc(C#N)c2)CO1

Molecular Processing

Molecular formula
C14H18N2O2
Molecular weight
246.31
Exact mass
246.1368
XLogP
1.13
TPSA
79.27
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
67.63

Supplementary Information

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