Nombre: (1-ethylcyclohexylcarbonyl)-acetonitrile
SMILES:
CCC1(C(=O)CC#N)CCCCC1Molecular Processing
Molecular formula
C11H17NO
Molecular weight
179.26
Exact mass
179.131
XLogP
2.83
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
13
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
0.818
Molar refractivity
51.05
Supplementary Information
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