SMILES:
CC(=O)c1ccc2c(c1)C1CNCC2C1Molecular Processing
Molecular formula
C13H15NO
Molecular weight
201.27
Exact mass
201.1154
XLogP
2.06
TPSA
29.1
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
59.42
Supplementary Information
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