Name: 3-[(3S,4R,6S)-3-amino-4-(hydroxymethyl)-6-methyltetrahydro-2H-pyran-3-yl]-4-chlorobenzonitrile
SMILES:
C[C@H]1C[C@@H](CO)[C@](N)(c2cc(C#N)ccc2Cl)CO1Molecular Processing
Molecular formula
C14H17ClN2O2
Molecular weight
280.76
Exact mass
280.0979
XLogP
1.78
TPSA
79.27
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
72.64
Supplementary Information
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