SMILES:
CCCCC(CC)CN1C=C(C(C)=O)CCC1Molecular Processing
Molecular formula
C15H27NO
Molecular weight
237.39
Exact mass
237.2093
XLogP
3.77
TPSA
20.31
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
17
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
72.88
Supplementary Information
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