6-hydroxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione
Formula:C22H13NO3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
6-hydroxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione is a drug-like molecule.
| MolName | 6-hydroxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione |
| MolecularFormula | C22H13NO3 |
| Smiles | Oc(c1cccc(C(N2c3cc4ccccc4cc3)=O)c11)ccc1C2=O |
| InChI | InChI=1S/C22H13NO3/c24-19-11-10-18-20-16(19)6-3-7-17(20)21(25)23(22(18)26)15-9-8-13-4-1-2-5-14(13)12-15/h1-12,24H |
| InChIK | QYGKFGOBYWFGQB-UHFFFAOYSA-N |
| TotalMolweight | 339.349 |
| Molweight | 339.349 |
| MonoisotopicMass | 339.089544 |
| CLogP | 4.5319 |
| CLogS | -6.386 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 240.87 |
| Relative PSA | 0.1774 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | 1.43 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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