SMILES:
CCOC(=O)C1NCCc2nc(O)ccc21.ClMolecular Processing
Molecular formula
C11H15ClN2O3
Molecular weight
258.7
Exact mass
258.0771
XLogP
0.96
TPSA
71.45
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.455
Molar refractivity
64.23
Supplementary Information
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