SMILES:
COC(=O)c1cccc2cn[nH]c12.ClMolecular Processing
Molecular formula
C9H9ClN2O2
Molecular weight
212.64
Exact mass
212.0353
XLogP
1.77
TPSA
54.98
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.111
Molar refractivity
54.68
Supplementary Information
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