SMILES:
CNCc1ccco1Molecular Processing
Molecular formula
C6H9NO
Molecular weight
111.14
Exact mass
111.0684
XLogP
1
TPSA
25.17
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
31.47
Supplementary Information
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