5-bromo-4-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
Formula:C18H15N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-4-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is a drug-like molecule.
| MolName | 5-bromo-4-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one |
| MolecularFormula | C18H15N4O2Br |
| Smiles | O=C1NN=CC(N/N=C\c2cc(OCc3ccccc3)ccc2)=C1Br |
| InChI | InChI=1S/C18H15BrN4O2/c19-17-16(11-21-23-18(17)24)22-20-10-14-7-4-8-15(9-14)25-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,22,23,24) |
| InChIK | QZUGXQRGLFAOHZ-UHFFFAOYSA-N |
| TotalMolweight | 399.247 |
| Molweight | 399.247 |
| MonoisotopicMass | 398.037837 |
| CLogP | 3.1119 |
| CLogS | -5.358 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 275.02 |
| Relative PSA | 0.25082 |
| PolarSurfaceArea | 75.08 |
| Druglikeness | -3.5342 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; 2-halo-enone |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 5-bromo-4-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one | 2 - 5-bromo-4-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
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