SMILES:
O=C1C2=C(NC3(C=N2)OCCO3)c2ccccc21Molecular Processing
Molecular formula
C13H10N2O3
Molecular weight
242.23
Exact mass
242.0691
XLogP
0.93
TPSA
59.92
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
18
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
63.96
Supplementary Information
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