1,3-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]urea
Formula:C15H10N4OCl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
1,3-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]urea is not a drug-like molecule.
| MolName | 1,3-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]urea |
| MolecularFormula | C15H10N4OCl4 |
| Smiles | O=C(N/N=C\c(c(Cl)ccc1)c1Cl)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C15H10Cl4N4O/c16-11-3-1-4-12(17)9(11)7-20-22-15(24)23-21-8-10-13(18)5-2-6-14(10)19/h1-8H,(H2,22,23,24) |
| InChIK | WJMPEDBFVZXTPW-UHFFFAOYSA-N |
| TotalMolweight | 404.083 |
| Molweight | 404.083 |
| MonoisotopicMass | 401.960869 |
| CLogP | 6.014 |
| CLogS | -7.774 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 284.89 |
| Relative PSA | 0.20703 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | 3.4846 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 14 |
| StereoCon |
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1 - 1,3-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]urea | 2 - 1,3-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]urea
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