SMILES:
NCC[C@H](NC(=O)c1ccc(CN)cc1)C(=O)OMolecular Processing
Molecular formula
C12H17N3O3
Molecular weight
251.29
Exact mass
251.127
XLogP
-0.32
TPSA
118.44
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
66.89
Supplementary Information
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