SMILES:
CC1(C#N)CCC2(CC1)OCCO2Molecular Processing
Molecular formula
C10H15NO2
Molecular weight
181.23
Exact mass
181.1103
XLogP
1.83
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.9
Molar refractivity
46.82
Supplementary Information
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