(1Z)-N-(4-chloroanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide
Formula:C9H8N5OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(1Z)-N-(4-chloroanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-N-(4-chloroanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide |
| MolecularFormula | C9H8N5OCl |
| Smiles | NNC(/C(/C#N)=N\Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C9H8ClN5O/c10-6-1-3-7(4-2-6)14-15-8(5-11)9(16)13-12/h1-4,14H,12H2,(H,13,16) |
| InChIK | VVVDBXVRHNBUGC-UHFFFAOYSA-N |
| TotalMolweight | 237.65 |
| Molweight | 237.65 |
| MonoisotopicMass | 237.041737 |
| CLogP | 1.04 |
| CLogS | -2.827 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 182.55 |
| Relative PSA | 0.41797 |
| PolarSurfaceArea | 103.3 |
| Druglikeness | -6.6209 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | hydrazine |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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