(1Z)-2-amino-N-(4-hydroxyanilino)-2-oxoethanimidoyl cyanide
Formula:C9H8N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(1Z)-2-amino-N-(4-hydroxyanilino)-2-oxoethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-2-amino-N-(4-hydroxyanilino)-2-oxoethanimidoyl cyanide |
| MolecularFormula | C9H8N4O2 |
| Smiles | NC(/C(/C#N)=N\Nc(cc1)ccc1O)=O |
| InChI | InChI=1S/C9H8N4O2/c10-5-8(9(11)15)13-12-6-1-3-7(14)4-2-6/h1-4,12,14H,(H2,11,15) |
| InChIK | FJWSZAHNMKJDHP-UHFFFAOYSA-N |
| TotalMolweight | 204.189 |
| Molweight | 204.189 |
| MonoisotopicMass | 204.064726 |
| CLogP | 0.8524 |
| CLogS | -1.518 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 162.02 |
| Relative PSA | 0.48105 |
| PolarSurfaceArea | 111.5 |
| Druglikeness | -1.4629 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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