| MolName | 2,4-dichloro-N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H10N2O2Cl4 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N/N=C\c1ccc(-c(cc(cc2)Cl)c2Cl)o1 |
| InChI | InChI=1S/C18H10Cl4N2O2/c19-10-2-5-15(21)14(7-10)17-6-3-12(26-17)9-23-24-18(25)13-4-1-11(20)8-16(13)22/h1-9H,(H,24,25) |
| InChIK | FWRJQUKFNSVWHY-UHFFFAOYSA-N |
| TotalMolweight | 428.101 |
| Molweight | 428.101 |
| MonoisotopicMass | 425.949636 |
| CLogP | 6.5645 |
| CLogS | -8.125 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 298.12 |
| Relative PSA | 0.16812 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 6.4937 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| StereoCon |
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1 - 2,4-dichloro-N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide | 2 - 2,4-dichloro-N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide