SMILES:
c1cncc(C2CO2)c1Molecular Processing
Molecular formula
C7H7NO
Molecular weight
121.14
Exact mass
121.0528
XLogP
1.15
TPSA
25.42
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
32.93
Supplementary Information
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