SMILES:
CC(O)C(Nc1ccc(C#N)c(Cl)c1)C(=O)OMolecular Processing
Molecular formula
C11H11ClN2O3
Molecular weight
254.67
Exact mass
254.0458
XLogP
1.46
TPSA
93.35
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
62.89
Supplementary Information
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