| MolName | (5Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C24H17N2O5Cl |
| Smiles | Oc1ccc(/C=C(/C(NC(N2c(cc3)ccc3OCc(cc3)ccc3Cl)=O)=O)\C2=O)cc1 |
| InChI | InChI=1S/C24H17ClN2O5/c25-17-5-1-16(2-6-17)14-32-20-11-7-18(8-12-20)27-23(30)21(22(29)26-24(27)31)13-15-3-9-19(28)10-4-15/h1-13,28H,14H2,(H,26,29,31) |
| InChIK | DLLWIEPUPTVALD-UHFFFAOYSA-N |
| TotalMolweight | 448.861 |
| Molweight | 448.861 |
| MonoisotopicMass | 448.0826 |
| CLogP | 3.7638 |
| CLogS | -5.668 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 324.53 |
| Relative PSA | 0.23797 |
| PolarSurfaceArea | 95.94 |
| Druglikeness | 4.5983 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione