2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridazino[6,1-b]quinazolin-10-one
Formula:C18H12N5OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridazino[6,1-b]quinazolin-10-one is a drug-like molecule.
| MolName | 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridazino[6,1-b]quinazolin-10-one |
| MolecularFormula | C18H12N5OF |
| Smiles | O=C(c(cccc1)c1N=C1C=C2)N1N=C2N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C18H12FN5O/c19-13-7-5-12(6-8-13)11-20-22-16-9-10-17-21-15-4-2-1-3-14(15)18(25)24(17)23-16/h1-11H,(H,22,23) |
| InChIK | KCEQCMBVJKCMCL-UHFFFAOYSA-N |
| TotalMolweight | 333.325 |
| Molweight | 333.325 |
| MonoisotopicMass | 333.102588 |
| CLogP | 2.2137 |
| CLogS | -4.413 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 249.08 |
| Relative PSA | 0.25124 |
| PolarSurfaceArea | 69.42 |
| Druglikeness | 2.8465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridazino[6,1-b]quinazolin-10-one | 2 - 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridazino[6,1-b]quinazolin-10-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off