(1E)-4-chloro-N-(pyridine-4-carbonylamino)benzenecarboximidoyl cyanide
Formula:C14H9N4OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(1E)-4-chloro-N-(pyridine-4-carbonylamino)benzenecarboximidoyl cyanide is a drug-like molecule.
| MolName | (1E)-4-chloro-N-(pyridine-4-carbonylamino)benzenecarboximidoyl cyanide |
| MolecularFormula | C14H9N4OCl |
| Smiles | N#C/C(/c(cc1)ccc1Cl)=N/NC(c1ccncc1)=O |
| InChI | InChI=1S/C14H9ClN4O/c15-12-3-1-10(2-4-12)13(9-16)18-19-14(20)11-5-7-17-8-6-11/h1-8H,(H,19,20) |
| InChIK | UBZBDWVLSQRBNU-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 | high |
| Reproductive Effective | high |
| 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 | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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