SMILES:
CC(C)(C)OC(=O)C1(ON=C(C(=O)O)c2ccco2)CCCC1Molecular Processing
Molecular formula
C16H21NO6
Molecular weight
323.35
Exact mass
323.1369
XLogP
2.74
TPSA
98.33
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
81.01
Supplementary Information
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