SMILES:
CC1CCC(C(C)C)C(C(=O)NCCO)C1Molecular Processing
Molecular formula
C13H25NO2
Molecular weight
227.35
Exact mass
227.1885
XLogP
1.8
TPSA
49.33
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.923
Molar refractivity
64.93
Supplementary Information
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