[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl] 4-chlorobenzoate
Formula:C17H11N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl] 4-chlorobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C17H11N2O4Cl |
| Smiles | O=C(c(cc1)ccc1Cl)Oc1ccc(/C=C(/C(N2)=O)\NC2=O)cc1 |
| InChI | InChI=1S/C17H11ClN2O4/c18-12-5-3-11(4-6-12)16(22)24-13-7-1-10(2-8-13)9-14-15(21)20-17(23)19-14/h1-9H,(H2,19,20,21,23) |
| InChIK | MICYDBKFFJUTBE-UHFFFAOYSA-N |
| TotalMolweight | 342.737 |
| Molweight | 342.737 |
| MonoisotopicMass | 342.040735 |
| CLogP | 2.9048 |
| CLogS | -4.942 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 245.82 |
| Relative PSA | 0.29306 |
| PolarSurfaceArea | 84.5 |
| Druglikeness | 3.1503 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - [4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl] 4-chlorobenzoate | 2 - [4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl] 4-chlorobenzoate
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