SMILES:
CC(=O)c1ccc2c(c1)C1CNCC2C1.ClMolecular Processing
Molecular formula
C13H16ClNO
Molecular weight
237.73
Exact mass
237.092
XLogP
2.49
TPSA
29.1
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.462
Molar refractivity
66.66
Supplementary Information
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