SMILES:
CC(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)CMolecular Processing
Molecular formula
C16H23NO3
Molecular weight
277.36
Exact mass
277.1678
XLogP
3.44
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
79.88
Supplementary Information
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