Name: 3-cyclopentyl-3-oxopropanenitrile
SMILES:
N#CCC(=O)C1CCCC1Molecular Processing
Molecular formula
C8H11NO
Molecular weight
137.18
Exact mass
137.0841
XLogP
1.66
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
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
0.75
Molar refractivity
37.2
Supplementary Information
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