SMILES:
COC=C1C(=O)NC(=O)c2ccc(C(=O)O)cc21Molecular Processing
Molecular formula
C12H9NO5
Molecular weight
247.21
Exact mass
247.0481
XLogP
0.64
TPSA
92.7
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
60.86
Supplementary Information
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