SMILES:
O=C1OCc2cccc3c2N1CCC31OCCO1Molecular Processing
Molecular formula
C13H13NO4
Molecular weight
247.25
Exact mass
247.0845
XLogP
1.75
TPSA
48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
18
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
62.17
Supplementary Information
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