(5Z)-5-[(4-hydroxy-3-iodophenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
Formula:C17H12N3O5I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(4-hydroxy-3-iodophenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(4-hydroxy-3-iodophenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione |
| MolecularFormula | C17H12N3O5I |
| Smiles | [O-][N+](c1ccc(CN(C(/C(/N2)=C/c(cc3)cc(I)c3O)=O)C2=O)cc1)=O |
| InChI | InChI=1S/C17H12IN3O5/c18-13-7-11(3-6-15(13)22)8-14-16(23)20(17(24)19-14)9-10-1-4-12(5-2-10)21(25)26/h1-8,22H,9H2,(H,19,24) |
| InChIK | NUTCHXZMSBZLAH-UHFFFAOYSA-N |
| TotalMolweight | 465.198 |
| Molweight | 465.198 |
| MonoisotopicMass | 464.98217 |
| CLogP | 1.7091 |
| CLogS | -4.877 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 271.55 |
| Relative PSA | 0.31158 |
| PolarSurfaceArea | 115.46 |
| Druglikeness | 0.24597 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[(4-hydroxy-3-iodophenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione | 2 - (5Z)-5-[(4-hydroxy-3-iodophenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
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