SMILES:
OCC(O)C[n+]1ccn(Cc2ccccc2)c1.[Cl-]Molecular Processing
Molecular formula
C13H17ClN2O2
Molecular weight
268.74
Exact mass
268.0979
XLogP
-2.82
TPSA
49.27
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.308
Molar refractivity
63.26
Supplementary Information
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