SMILES:
CC(C)COC(=O)[C@H](C)Nc1ccc(C#N)c(Cl)c1Molecular Processing
Molecular formula
C14H17ClN2O2
Molecular weight
280.75
Exact mass
280.0979
XLogP
3.21
TPSA
62.12
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
75.05
Supplementary Information
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