Name: 3-(S)-phenethyl-piperazine-2,5-dione
SMILES:
O=C1CNC(=O)[C@H](CCc2ccccc2)N1Molecular Processing
Molecular formula
C12H14N2O2
Molecular weight
218.26
Exact mass
218.1055
XLogP
0.23
TPSA
58.2
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
59.7
Supplementary Information
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