SMILES:
c1cc2[nH]ncc2cc1OC1CCOCC1Molecular Processing
Molecular formula
C12H14N2O2
Molecular weight
218.26
Exact mass
218.1055
XLogP
2.12
TPSA
47.14
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
60.56
Supplementary Information
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