(5E)-1-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Formula:C17H10N2O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5E)-1-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.
| MolName | (5E)-1-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C17H10N2O3Cl2 |
| Smiles | O=C(/C(/C(N1c(cc2)ccc2Cl)=O)=C\c(cc2)ccc2Cl)NC1=O |
| InChI | InChI=1S/C17H10Cl2N2O3/c18-11-3-1-10(2-4-11)9-14-15(22)20-17(24)21(16(14)23)13-7-5-12(19)6-8-13/h1-9H,(H,20,22,24) |
| InChIK | VLWYCLRJYNSRKG-UHFFFAOYSA-N |
| TotalMolweight | 361.183 |
| Molweight | 361.183 |
| MonoisotopicMass | 360.006847 |
| CLogP | 3.3674 |
| CLogS | -5.359 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 250.08 |
| Relative PSA | 0.21645 |
| PolarSurfaceArea | 66.48 |
| Druglikeness | 4.7494 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-1-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione
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