SMILES:
O=[N+]([O-])c1ccccc1C1CCc2cc(O)ccc2O1Molecular Processing
Molecular formula
C15H13NO4
Molecular weight
271.27
Exact mass
271.0845
XLogP
3.37
TPSA
72.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
72.89
Supplementary Information
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