3-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine
Formula:C9H7N5OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine is a drug-like molecule.
| MolName | 3-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine |
| MolecularFormula | C9H7N5OCl2 |
| Smiles | Nc1nonc1N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C9H7Cl2N5O/c10-6-2-1-3-7(11)5(6)4-13-14-9-8(12)15-17-16-9/h1-4H,(H2,12,15)(H,14,16) |
| InChIK | QSDOTFRGCSGULD-UHFFFAOYSA-N |
| TotalMolweight | 272.095 |
| Molweight | 272.095 |
| MonoisotopicMass | 271.002764 |
| CLogP | 4.5897 |
| CLogS | -3.99 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 195.81 |
| Relative PSA | 0.3794 |
| PolarSurfaceArea | 89.33 |
| Druglikeness | 3.2266 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine | 2 - 3-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine
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