SMILES:
N#CCC1CCCCCC1=OMolecular Processing
Molecular formula
C9H13NO
Molecular weight
151.21
Exact mass
151.0997
XLogP
2.05
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
41.81
Supplementary Information
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