SMILES:
COC(=O)c1cc(N)cc2c1CCCC2Molecular Processing
Molecular formula
C12H15NO2
Molecular weight
205.26
Exact mass
205.1103
XLogP
1.93
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
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
0.417
Molar refractivity
58.84
Supplementary Information
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