SMILES:
C=Cc1ncccc1C(=O)OCMolecular Processing
Molecular formula
C9H9NO2
Molecular weight
163.18
Exact mass
163.0633
XLogP
1.51
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
45.67
Supplementary Information
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