SMILES:
N#CC(=O)CC(=O)C[C@@H](O)CN1CCCCC1Molecular Processing
Molecular formula
C12H18N2O3
Molecular weight
238.29
Exact mass
238.1317
XLogP
0.28
TPSA
81.4
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
17
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
61.16
Supplementary Information
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