SMILES:
CC(C)(C)OC(=O)NC(CC#N)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C14H17ClN2O2
Molecular weight
280.75
Exact mass
280.0979
XLogP
3.82
TPSA
62.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
73.79
Supplementary Information
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