SMILES:
O=C(O)c1cc2c(c(C(=O)O)c1)NCCCC2Molecular Processing
Molecular formula
C12H13NO4
Molecular weight
235.24
Exact mass
235.0845
XLogP
1.83
TPSA
86.63
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
61.79
Supplementary Information
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