COC(=O)[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)C(C)C.O=C(O)C(=O)O
SMILES: COC(=O)[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)C(C)C.O=C(O)C(=O)O

Molecular Processing

Molecular formula
C22H24N2O6
Molecular weight
412.44
Exact mass
412.1634
XLogP
2.67
TPSA
136.72
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.273
Molar refractivity
109.35

Supplementary Information

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