6-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
Formula:C10H8N5O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione is a drug-like molecule.
| MolName | 6-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione |
| MolecularFormula | C10H8N5O2Cl |
| Smiles | O=C(C(N/N=C\c(cccc1)c1Cl)=NN1)NC1=O |
| InChI | InChI=1S/C10H8ClN5O2/c11-7-4-2-1-3-6(7)5-12-14-8-9(17)13-10(18)16-15-8/h1-5H,(H,14,15)(H2,13,16,17,18) |
| InChIK | QHIXWPVRNOHHQG-UHFFFAOYSA-N |
| TotalMolweight | 265.66 |
| Molweight | 265.66 |
| MonoisotopicMass | 265.036652 |
| CLogP | 0.8669 |
| CLogS | -3.905 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 192.79 |
| Relative PSA | 0.43301 |
| PolarSurfaceArea | 94.95 |
| Druglikeness | 5.6429 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - 6-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione | 2 - 6-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
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