5-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinazolino[2,3-a]phthalazin-8-one
Formula:C21H14N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinazolino[2,3-a]phthalazin-8-one is a drug-like molecule.
| MolName | 5-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinazolino[2,3-a]phthalazin-8-one |
| MolecularFormula | C21H14N6O |
| Smiles | O=C(c(cccc1)c1N=C1c2c3cccc2)N1N=C3N/N=C\c1cnccc1 |
| InChI | InChI=1S/C21H14N6O/c28-21-17-9-3-4-10-18(17)24-20-16-8-2-1-7-15(16)19(26-27(20)21)25-23-13-14-6-5-11-22-12-14/h1-13H,(H,25,26) |
| InChIK | XSDKORBXSMWQEV-UHFFFAOYSA-N |
| TotalMolweight | 366.383 |
| Molweight | 366.383 |
| MonoisotopicMass | 366.122909 |
| CLogP | 2.858 |
| CLogS | -4.7 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 274.75 |
| Relative PSA | 0.2677 |
| PolarSurfaceArea | 82.31 |
| Druglikeness | 4.173 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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