이름: NAPHTHYRIDINONE
SMILES:
CC(=O)Nc1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12Molecular Processing
Molecular formula
C25H18Cl3N3O3
Molecular weight
514.8
Exact mass
513.0414
XLogP
6.39
TPSA
81.06
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.12
Molar refractivity
137.19
Supplementary Information
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