5-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
Formula:C10H8N5OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one is a drug-like molecule.
| MolName | 5-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one |
| MolecularFormula | C10H8N5OBr |
| Smiles | O=C(NN=C1)N=C1N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C10H8BrN5O/c11-8-3-1-2-7(4-8)5-12-15-9-6-13-16-10(17)14-9/h1-6H,(H2,14,15,16,17) |
| InChIK | ZDBVDGIJRLPVJN-UHFFFAOYSA-N |
| TotalMolweight | 294.112 |
| Molweight | 294.112 |
| MonoisotopicMass | 292.991221 |
| CLogP | 1.6683 |
| CLogS | -4.3 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 191.55 |
| Relative PSA | 0.368 |
| PolarSurfaceArea | 78.21 |
| Druglikeness | 1.9411 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| StereoCon |
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1 - 5-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one | 2 - 5-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
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