4-chloro-2-phenyl-5-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridazin-3-one
Formula:C16H12N5OCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-chloro-2-phenyl-5-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridazin-3-one is a drug-like molecule.
| MolName | 4-chloro-2-phenyl-5-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridazin-3-one |
| MolecularFormula | C16H12N5OCl |
| Smiles | O=C1N(c2ccccc2)N=CC(N/N=C\c2ncccc2)=C1Cl |
| InChI | InChI=1S/C16H12ClN5O/c17-15-14(21-19-10-12-6-4-5-9-18-12)11-20-22(16(15)23)13-7-2-1-3-8-13/h1-11,21H |
| InChIK | BZERCXDWCMPVQG-UHFFFAOYSA-N |
| TotalMolweight | 325.758 |
| Molweight | 325.758 |
| MonoisotopicMass | 325.073037 |
| CLogP | 2.6539 |
| CLogS | -3.814 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 245.65 |
| Relative PSA | 0.25255 |
| PolarSurfaceArea | 69.95 |
| Druglikeness | 3.426 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; 2-halo-enone |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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