4-cyano-N-[(Z)-furan-2-ylmethylideneamino]benzamide
Formula:C13H9N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-cyano-N-[(Z)-furan-2-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-cyano-N-[(Z)-furan-2-ylmethylideneamino]benzamide |
| MolecularFormula | C13H9N3O2 |
| Smiles | N#Cc(cc1)ccc1C(N/N=C\c1ccco1)=O |
| InChI | InChI=1S/C13H9N3O2/c14-8-10-3-5-11(6-4-10)13(17)16-15-9-12-2-1-7-18-12/h1-7,9H,(H,16,17) |
| InChIK | JRSVOWLSFLIVLL-UHFFFAOYSA-N |
| TotalMolweight | 239.233 |
| Molweight | 239.233 |
| MonoisotopicMass | 239.069477 |
| CLogP | 2.2259 |
| CLogS | -4.176 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 198.39 |
| Relative PSA | 0.32098 |
| PolarSurfaceArea | 78.39 |
| Druglikeness | -0.14459 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon |
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