SMILES:
CCCCC(Oc1ccc(CCNC(C)=O)cc1)C(=O)OCCMolecular Processing
Molecular formula
C18H27NO4
Molecular weight
321.42
Exact mass
321.194
XLogP
2.87
TPSA
64.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
89.4
Supplementary Information
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