SMILES:
c1ccc(-n2cccc2)c(OCC2CO2)c1Molecular Processing
Molecular formula
C13H13NO2
Molecular weight
215.25
Exact mass
215.0946
XLogP
2.25
TPSA
26.69
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
16
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
0.231
Molar refractivity
61
Supplementary Information
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