| MolName | [(Z)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea |
| MolecularFormula | C15H13N3O2ClF |
| Smiles | NC(N/N=C\c(cc(cc1)Cl)c1OCc(cc1)ccc1F)=O |
| InChI | InChI=1S/C15H13ClFN3O2/c16-12-3-6-14(11(7-12)8-19-20-15(18)21)22-9-10-1-4-13(17)5-2-10/h1-8H,9H2,(H3,18,20,21) |
| InChIK | PYNRXZAQLOOQCG-UHFFFAOYSA-N |
| TotalMolweight | 321.738 |
| Molweight | 321.738 |
| MonoisotopicMass | 321.068032 |
| CLogP | 3.1902 |
| CLogS | -5.205 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 241.04 |
| Relative PSA | 0.25423 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | 2.5875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea | 2 - [(Z)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea