SMILES:
COC(=O)C(C)Oc1ccc(Oc2cnc3ccccc3n2)cc1Molecular Processing
Molecular formula
C18H16N2O4
Molecular weight
324.34
Exact mass
324.111
XLogP
3.36
TPSA
70.54
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
88.16
Supplementary Information
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