5-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-4-chloro-2-phenylpyridazin-3-one
Formula:C17H12N4OBrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-4-chloro-2-phenylpyridazin-3-one is a drug-like molecule.
| MolName | 5-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-4-chloro-2-phenylpyridazin-3-one |
| MolecularFormula | C17H12N4OBrCl |
| Smiles | O=C1N(c2ccccc2)N=CC(N/N=C\c(cc2)ccc2Br)=C1Cl |
| InChI | InChI=1S/C17H12BrClN4O/c18-13-8-6-12(7-9-13)10-20-22-15-11-21-23(17(24)16(15)19)14-4-2-1-3-5-14/h1-11,22H |
| InChIK | XGOAMKIHJBMTBL-UHFFFAOYSA-N |
| TotalMolweight | 403.666 |
| Molweight | 403.666 |
| MonoisotopicMass | 401.988299 |
| CLogP | 4.326 |
| CLogS | -5.419 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 265.52 |
| Relative PSA | 0.19234 |
| PolarSurfaceArea | 57.06 |
| Druglikeness | 1.636 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; 2-halo-enone |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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