SMILES:
COC(=O)c1ccc2c(ccn2C(C)C)c1Molecular Processing
Molecular formula
C13H15NO2
Molecular weight
217.27
Exact mass
217.1103
XLogP
3.01
TPSA
31.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
63.66
Supplementary Information
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