(1Z)-2-amino-N-(4-cyanoanilino)-2-oxoethanimidoyl cyanide
Formula:C10H7N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(1Z)-2-amino-N-(4-cyanoanilino)-2-oxoethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-2-amino-N-(4-cyanoanilino)-2-oxoethanimidoyl cyanide |
| MolecularFormula | C10H7N5O |
| Smiles | NC(/C(/C#N)=N\Nc(cc1)ccc1C#N)=O |
| InChI | InChI=1S/C10H7N5O/c11-5-7-1-3-8(4-2-7)14-15-9(6-12)10(13)16/h1-4,14H,(H2,13,16) |
| InChIK | NSVBCLOFHYMEIV-UHFFFAOYSA-N |
| TotalMolweight | 213.2 |
| Molweight | 213.2 |
| MonoisotopicMass | 213.06506 |
| CLogP | 1.0337 |
| CLogS | -2.587 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 177.38 |
| Relative PSA | 0.44199 |
| PolarSurfaceArea | 115.06 |
| Druglikeness | -1.4523 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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