(5Z)-5-[(4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione
Formula:C13H10N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C13H10N2O3 |
| Smiles | C#CCOc1ccc(/C=C(/C(N2)=O)\NC2=O)cc1 |
| InChI | InChI=1S/C13H10N2O3/c1-2-7-18-10-5-3-9(4-6-10)8-11-12(16)15-13(17)14-11/h1,3-6,8H,7H2,(H2,14,15,16,17) |
| InChIK | QRXPKHHRHINWSQ-UHFFFAOYSA-N |
| TotalMolweight | 242.233 |
| Molweight | 242.233 |
| MonoisotopicMass | 242.069143 |
| CLogP | 0.8255 |
| CLogS | -3.378 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 190.46 |
| Relative PSA | 0.30978 |
| PolarSurfaceArea | 67.43 |
| Druglikeness | 3.0018 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[(4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione | 2 - (5Z)-5-[(4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione
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