6-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
Formula:C10H7N5O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione is a drug-like molecule.
| MolName | 6-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione |
| MolecularFormula | C10H7N5O2Cl2 |
| Smiles | O=C(C(N/N=C\c(cc1)cc(Cl)c1Cl)=NN1)NC1=O |
| InChI | InChI=1S/C10H7Cl2N5O2/c11-6-2-1-5(3-7(6)12)4-13-15-8-9(18)14-10(19)17-16-8/h1-4H,(H,15,16)(H2,14,17,18,19) |
| InChIK | NEOXMWYJCKBAJJ-UHFFFAOYSA-N |
| TotalMolweight | 300.105 |
| Molweight | 300.105 |
| MonoisotopicMass | 298.997679 |
| CLogP | 1.4729 |
| CLogS | -4.641 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 208.21 |
| Relative PSA | 0.40094 |
| PolarSurfaceArea | 94.95 |
| Druglikeness | 5.6429 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione | 2 - 6-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
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