(5Z)-3-(2,6-dichloro-4-nitrophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazolidin-4-one
Formula:C28H19N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(2,6-dichloro-4-nitrophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-(2,6-dichloro-4-nitrophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazolidin-4-one |
| MolecularFormula | C28H19N3O4Cl2 |
| Smiles | [O-][N+](c(cc1Cl)cc(Cl)c1N(C(c1ccccc1)N/C1=C\c2cc(Oc3ccccc3)ccc2)C1=O)=O |
| InChI | InChI=1S/C28H19Cl2N3O4/c29-23-16-20(33(35)36)17-24(30)26(23)32-27(19-9-3-1-4-10-19)31-25(28(32)34)15-18-8-7-13-22(14-18)37-21-11-5-2-6-12-21/h1-17,27,31H/t27-/m0/s1 |
| InChIK | IZZJOGGSFAXDJS-MHZLTWQESA-N |
| TotalMolweight | 532.382 |
| Molweight | 532.382 |
| MonoisotopicMass | 531.075261 |
| CLogP | 3.5168 |
| CLogS | -8.983 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 380.27 |
| Relative PSA | 0.18006 |
| PolarSurfaceArea | 87.39 |
| Druglikeness | -1.9589 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48649 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-3-(2,6-dichloro-4-nitrophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazolidin-4-one | 2 - (5Z)-3-(2,6-dichloro-4-nitrophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off