Name: 1-ethylhexahydro-4-azepinone
SMILES:
CCN1CCCC(=O)CC1Molecular Processing
Molecular formula
C8H15NO
Molecular weight
141.21
Exact mass
141.1154
XLogP
1.06
TPSA
20.31
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
40.97
Supplementary Information
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