SMILES:
COC(=O)C1=CCC2CCC1N2CMolecular Processing
Molecular formula
C10H15NO2
Molecular weight
181.23
Exact mass
181.1103
XLogP
0.95
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
49.29
Supplementary Information
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