Name: 2-(3-chloro-5-hydroxymethyl-pyridin-2-yl)-2-methyl-propionitrile
SMILES:
CC(C)(C#N)c1ncc(CO)cc1ClMolecular Processing
Molecular formula
C10H11ClN2O
Molecular weight
210.66
Exact mass
210.056
XLogP
2.03
TPSA
56.91
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
53.81
Supplementary Information
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