SMILES:
O=C(O)CCOc1cccc2cccnc12Molecular Processing
Molecular formula
C12H11NO3
Molecular weight
217.22
Exact mass
217.0739
XLogP
2.09
TPSA
59.42
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
59.49
Supplementary Information
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