(1E)-4-chloro-N-(pyridine-3-carbonylamino)benzenecarboximidoyl cyanide
Formula:C14H9N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(1E)-4-chloro-N-(pyridine-3-carbonylamino)benzenecarboximidoyl cyanide is a drug-like molecule.
| MolName | (1E)-4-chloro-N-(pyridine-3-carbonylamino)benzenecarboximidoyl cyanide |
| MolecularFormula | C14H9N4OCl |
| Smiles | N#C/C(/c(cc1)ccc1Cl)=N/NC(c1cnccc1)=O |
| InChI | InChI=1S/C14H9ClN4O/c15-12-5-3-10(4-6-12)13(8-16)18-19-14(20)11-2-1-7-17-9-11/h1-7,9H,(H,19,20) |
| InChIK | RFVUSEWTTDIMHE-UHFFFAOYSA-N |
| TotalMolweight | 284.705 |
| Molweight | 284.705 |
| MonoisotopicMass | 284.046488 |
| CLogP | 1.9902 |
| CLogS | -4.17 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 221.09 |
| Relative PSA | 0.27383 |
| PolarSurfaceArea | 78.14 |
| Druglikeness | -0.89794 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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