[(Z)-[(2E,4E)-5-(4-fluorophenyl)penta-2,4-dienylidene]amino]urea
Formula:C12H12N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[(2E,4E)-5-(4-fluorophenyl)penta-2,4-dienylidene]amino]urea is a drug-like molecule.
| MolName | [(Z)-[(2E,4E)-5-(4-fluorophenyl)penta-2,4-dienylidene]amino]urea |
| MolecularFormula | C12H12N3OF |
| Smiles | NC(N/N=C\C=C\C=C\c(cc1)ccc1F)=O |
| InChI | InChI=1S/C12H12FN3O/c13-11-7-5-10(6-8-11)4-2-1-3-9-15-16-12(14)17/h1-9H,(H3,14,16,17) |
| InChIK | FEOPXPWTDPWZRZ-UHFFFAOYSA-N |
| TotalMolweight | 233.245 |
| Molweight | 233.245 |
| MonoisotopicMass | 233.09644 |
| CLogP | 1.911 |
| CLogS | -3.732 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 195.1 |
| Relative PSA | 0.26284 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 3.0629 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.82353 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-[(2E,4E)-5-(4-fluorophenyl)penta-2,4-dienylidene]amino]urea | 2 - [(Z)-[(2E,4E)-5-(4-fluorophenyl)penta-2,4-dienylidene]amino]urea
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