Name: compound 49
SMILES:
C=CCCCCN(C)C(=O)[C@@H]1C[C@@H](O)CN1Molecular Processing
Molecular formula
C12H22N2O2
Molecular weight
226.32
Exact mass
226.1681
XLogP
0.52
TPSA
52.57
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
16
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
64.1
Supplementary Information
Details werden geladen…
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