| MolName | 2-[(Z)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine |
| MolecularFormula | C24H19N4Cl3 |
| Smiles | NC(N)=N/N=C(/C=C/C=C(c(cc1)ccc1Cl)c(cc1)ccc1Cl)\c(cc1)ccc1Cl |
| InChI | InChI=1S/C24H19Cl3N4/c25-19-10-4-16(5-11-19)22(17-6-12-20(26)13-7-17)2-1-3-23(30-31-24(28)29)18-8-14-21(27)15-9-18/h1-15H,(H4,28,29,31) |
| InChIK | CGERTGROJICAEY-UHFFFAOYSA-N |
| TotalMolweight | 469.802 |
| Molweight | 469.802 |
| MonoisotopicMass | 468.067527 |
| CLogP | 6.6075 |
| CLogS | -8.615 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 353.23 |
| Relative PSA | 0.15163 |
| PolarSurfaceArea | 76.76 |
| Druglikeness | 1.1894 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 12 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine | 2 - 2-[(Z)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine