SMILES:
O=C(O)CCCC(=O)c1cn(-c2cccnc2)c2ccccc12Molecular Processing
Molecular formula
C18H16N2O3
Molecular weight
308.34
Exact mass
308.1161
XLogP
3.46
TPSA
72.19
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
86.89
Supplementary Information
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