SMILES:
O=C(Cc1ccccc1)OCC(=O)c1cnc(-c2ccccc2)nc1Molecular Processing
Molecular formula
C20H16N2O3
Molecular weight
332.36
Exact mass
332.1161
XLogP
3.11
TPSA
69.15
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
25
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
0.1
Molar refractivity
92.9
Supplementary Information
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