(5Z)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
Formula:C17H10N2O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione |
| MolecularFormula | C17H10N2O4Cl2 |
| Smiles | O=C(/C(/NC1=O)=C/c(cc2OCOc2c2)c2Cl)N1c1cc(Cl)ccc1 |
| InChI | InChI=1S/C17H10Cl2N2O4/c18-10-2-1-3-11(6-10)21-16(22)13(20-17(21)23)4-9-5-14-15(7-12(9)19)25-8-24-14/h1-7H,8H2,(H,20,23) |
| InChIK | RNLVXMAEFBNMPV-UHFFFAOYSA-N |
| TotalMolweight | 377.182 |
| Molweight | 377.182 |
| MonoisotopicMass | 376.001762 |
| CLogP | 3.9398 |
| CLogS | -6.402 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 252.59 |
| Relative PSA | 0.24185 |
| PolarSurfaceArea | 67.87 |
| Druglikeness | 3.7561 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione | 2 - (5Z)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
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