SMILES:
Nc1ccc2c(c1)COC2=OMolecular Processing
Molecular formula
C8H7NO2
Molecular weight
149.15
Exact mass
149.0477
XLogP
0.94
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
39.97
Supplementary Information
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