SMILES:
CNc1ccccc1C(=O)OCCCC1CCC(=O)CC1=OMolecular Processing
Molecular formula
C17H21NO4
Molecular weight
303.36
Exact mass
303.1471
XLogP
2.6
TPSA
72.47
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
82.86
Supplementary Information
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