SMILES:
CN1CCCC1c1cncc(-c2ccco2)c1.O=C(O)/C=C/C(=O)OMolecular Processing
Molecular formula
C18H20N2O5
Molecular weight
344.37
Exact mass
344.1372
XLogP
2.82
TPSA
103.87
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.278
Molar refractivity
90.96
Supplementary Information
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