SMILES:
CC(=O)CCC#CCCCC#NMolecular Processing
Molecular formula
C10H13NO
Molecular weight
163.22
Exact mass
163.0997
XLogP
2.05
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
47.16
Supplementary Information
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