SMILES:
COC(=O)c1ccc2c(c1)CCCN2Molecular Processing
Molecular formula
C11H13NO2
Molecular weight
191.23
Exact mass
191.0946
XLogP
1.83
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
54.59
Supplementary Information
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