SMILES:
CN(CC1(CC2OCCO2)CCc2ccccc21)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C20H29NO4
Molecular weight
347.46
Exact mass
347.2097
XLogP
3.5
TPSA
48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
95.61
Supplementary Information
Récupération des détails…
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