(5E)-5-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
Formula:C19H12N2O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione |
| MolecularFormula | C19H12N2O3Cl2 |
| Smiles | C#CCOc(c(Cl)cc(/C=C(\C(N1c2ccccc2)=O)/NC1=O)c1)c1Cl |
| InChI | InChI=1S/C19H12Cl2N2O3/c1-2-8-26-17-14(20)9-12(10-15(17)21)11-16-18(24)23(19(25)22-16)13-6-4-3-5-7-13/h1,3-7,9-11H,8H2,(H,22,25) |
| InChIK | JHGAUNUBBNXBKB-UHFFFAOYSA-N |
| TotalMolweight | 387.221 |
| Molweight | 387.221 |
| MonoisotopicMass | 386.022497 |
| CLogP | 3.7856 |
| CLogS | -6.333 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 279.9 |
| Relative PSA | 0.18253 |
| PolarSurfaceArea | 58.64 |
| Druglikeness | 3.6709 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-5-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione | 2 - (5E)-5-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
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