1-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(2,6-dichloropyridin-4-yl)urea
Formula:C13H8N4OCl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
1-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(2,6-dichloropyridin-4-yl)urea is a drug-like molecule.
| MolName | 1-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(2,6-dichloropyridin-4-yl)urea |
| MolecularFormula | C13H8N4OCl4 |
| Smiles | O=C(Nc1cc(Cl)nc(Cl)c1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C13H8Cl4N4O/c14-9-2-1-3-10(15)8(9)6-18-21-13(22)19-7-4-11(16)20-12(17)5-7/h1-6H,(H2,19,20,21,22) |
| InChIK | GQCLZVQZENNPRH-UHFFFAOYSA-N |
| TotalMolweight | 378.046 |
| Molweight | 378.046 |
| MonoisotopicMass | 375.945219 |
| CLogP | 4.8134 |
| CLogS | -5.912 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 258.89 |
| Relative PSA | 0.22573 |
| PolarSurfaceArea | 66.38 |
| Druglikeness | 3.8021 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 1-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(2,6-dichloropyridin-4-yl)urea | 2 - 1-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(2,6-dichloropyridin-4-yl)urea
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