SMILES:
CC1(C(=O)O)CC=C(N2CCOCC2)CC1Molecular Processing
Molecular formula
C12H19NO3
Molecular weight
225.29
Exact mass
225.1365
XLogP
1.48
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
60.07
Supplementary Information
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