SMILES:
OCc1cc2cnccc2o1Molecular Processing
Molecular formula
C8H7NO2
Molecular weight
149.15
Exact mass
149.0477
XLogP
1.32
TPSA
46.26
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
39.93
Supplementary Information
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