이름: product
SMILES:
CC(C)(C)OC(=O)N[C@@H](CN)COCc1ccccc1Molecular Processing
Molecular formula
C15H24N2O3
Molecular weight
280.37
Exact mass
280.1787
XLogP
2.06
TPSA
73.58
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
78.31
Supplementary Information
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