SMILES:
c1cc(OCC2CO2)c2cccnc2c1Molecular Processing
Molecular formula
C12H11NO2
Molecular weight
201.23
Exact mass
201.079
XLogP
2.01
TPSA
34.65
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
56.98
Supplementary Information
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