SMILES:
CC1CC(=O)C=C(N)C1Molecular Processing
Molecular formula
C7H11NO
Molecular weight
125.17
Exact mass
125.0841
XLogP
0.83
TPSA
43.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
35.68
Supplementary Information
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