SMILES:
NC(=O)c1cc2c(OCC3CO3)cccc2[nH]1Molecular Processing
Molecular formula
C12H12N2O3
Molecular weight
232.24
Exact mass
232.0848
XLogP
1.04
TPSA
80.64
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
62.05
Supplementary Information
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