4-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
Formula:C11H8N4OBrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one is a drug-like molecule.
| MolName | 4-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one |
| MolecularFormula | C11H8N4OBrCl |
| Smiles | O=C1NN=CC(N/N=C\c(cccc2)c2Br)=C1Cl |
| InChI | InChI=1S/C11H8BrClN4O/c12-8-4-2-1-3-7(8)5-14-16-9-6-15-17-11(18)10(9)13/h1-6H,(H2,16,17,18) |
| InChIK | OYSFBLLHMARREH-UHFFFAOYSA-N |
| TotalMolweight | 327.569 |
| Molweight | 327.569 |
| MonoisotopicMass | 325.956999 |
| CLogP | 2.358 |
| CLogS | -4.709 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 206.92 |
| Relative PSA | 0.28504 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | 1.9415 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; 2-halo-enone |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one | 2 - 4-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off