SMILES:
CCC(Oc1cccc(CNCCCO)c1)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C18H29NO4
Molecular weight
323.43
Exact mass
323.2097
XLogP
2.66
TPSA
67.79
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
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
0.611
Molar refractivity
90.4
Supplementary Information
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