SMILES:
C=C(CC(=O)OC)C(=O)c1cccnc1Molecular Processing
Molecular formula
C11H11NO3
Molecular weight
205.21
Exact mass
205.0739
XLogP
1.38
TPSA
56.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
54.34
Supplementary Information
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