COC(=O)C1=C(C)NC(CO)=C(C(=O)OC)C1c1ccccc1C#N
SMILES: COC(=O)C1=C(C)NC(CO)=C(C(=O)OC)C1c1ccccc1C#N

Molecular Processing

Molecular formula
C18H18N2O5
Molecular weight
342.35
Exact mass
342.1216
XLogP
1.11
TPSA
108.65
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
87.88

Supplementary Information

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