5-benzyl-4,6-dihydroxybenzo[de]isoquinoline-1,3-dione
Formula:C19H13NO4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
5-benzyl-4,6-dihydroxybenzo[de]isoquinoline-1,3-dione is a drug-like molecule.
| MolName | 5-benzyl-4,6-dihydroxybenzo[de]isoquinoline-1,3-dione |
| MolecularFormula | C19H13NO4 |
| Smiles | Oc(c1cccc(C(N2)=O)c11)c(Cc3ccccc3)c(O)c1C2=O |
| InChI | InChI=1S/C19H13NO4/c21-16-11-7-4-8-12-14(11)15(19(24)20-18(12)23)17(22)13(16)9-10-5-2-1-3-6-10/h1-8,21-22H,9H2,(H,20,23,24) |
| InChIK | OLWLPXNJDSNAOF-UHFFFAOYSA-N |
| TotalMolweight | 319.315 |
| Molweight | 319.315 |
| MonoisotopicMass | 319.084459 |
| CLogP | 3.0596 |
| CLogS | -4.712 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 227.54 |
| Relative PSA | 0.28013 |
| PolarSurfaceArea | 86.63 |
| Druglikeness | 1.4157 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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