SMILES:
O=C1NC2C=CC1C2Molecular Processing
Molecular formula
C6H7NO
Molecular weight
109.13
Exact mass
109.0528
XLogP
0.06
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
8
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
29.18
Supplementary Information
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