| MolName | [(Z)-[(2E,4E,6E)-7-(4-fluorophenyl)hepta-2,4,6-trienylidene]amino]urea |
| MolecularFormula | C14H14N3OF |
| Smiles | NC(N/N=C\C=C\C=C\C=C\c(cc1)ccc1F)=O |
| InChI | InChI=1S/C14H14FN3O/c15-13-9-7-12(8-10-13)6-4-2-1-3-5-11-17-18-14(16)19/h1-11H,(H3,16,18,19) |
| InChIK | DTLJHCBHVHJBNC-UHFFFAOYSA-N |
| TotalMolweight | 259.283 |
| Molweight | 259.283 |
| MonoisotopicMass | 259.11209 |
| CLogP | 2.5676 |
| CLogS | -4.044 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 221.6 |
| Relative PSA | 0.23141 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 3.211 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.84211 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| 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,6E)-7-(4-fluorophenyl)hepta-2,4,6-trienylidene]amino]urea | 2 - [(Z)-[(2E,4E,6E)-7-(4-fluorophenyl)hepta-2,4,6-trienylidene]amino]urea