4-bromo-5-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one
Formula:C17H17N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-5-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one is a drug-like molecule.
| MolName | 4-bromo-5-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one |
| MolecularFormula | C17H17N4OBr |
| Smiles | O=C1N(c2ccccc2)N=CC(N/N=C\[C@H]2CC=CCC2)=C1Br |
| InChI | InChI=1S/C17H17BrN4O/c18-16-15(21-19-11-13-7-3-1-4-8-13)12-20-22(17(16)23)14-9-5-2-6-10-14/h1-3,5-6,9-13,21H,4,7-8H2/t13-/m0/s1 |
| InChIK | LORWOLWJXSRZSG-ZDUSSCGKSA-N |
| TotalMolweight | 373.253 |
| Molweight | 373.253 |
| MonoisotopicMass | 372.058572 |
| CLogP | 3.0458 |
| CLogS | -4.577 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 257.12 |
| Relative PSA | 0.19862 |
| PolarSurfaceArea | 57.06 |
| Druglikeness | -8.5334 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde; 2-halo-enone |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - 4-bromo-5-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one | 2 - 4-bromo-5-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one
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