2-hydroxy-N-[(Z)-pent-4-enylideneamino]benzamide
Formula:C12H14N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-N-[(Z)-pent-4-enylideneamino]benzamide is a drug-like molecule.
| MolName | 2-hydroxy-N-[(Z)-pent-4-enylideneamino]benzamide |
| MolecularFormula | C12H14N2O2 |
| Smiles | C=CCC/C=N\NC(c(cccc1)c1O)=O |
| InChI | InChI=1S/C12H14N2O2/c1-2-3-6-9-13-14-12(16)10-7-4-5-8-11(10)15/h2,4-5,7-9,15H,1,3,6H2,(H,14,16) |
| InChIK | JQVLGFUHGFVITJ-UHFFFAOYSA-N |
| TotalMolweight | 218.255 |
| Molweight | 218.255 |
| MonoisotopicMass | 218.105528 |
| CLogP | 2.2789 |
| CLogS | -2.926 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 185.64 |
| Relative PSA | 0.26454 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | -1.1462 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| StereoCon |
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