1,2,3-tris[(Z)-(2,4-dichlorophenyl)methylideneamino]guanidine
Formula:C22H14N6Cl6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
1,2,3-tris[(Z)-(2,4-dichlorophenyl)methylideneamino]guanidine is not a drug-like molecule.
| MolName | 1,2,3-tris[(Z)-(2,4-dichlorophenyl)methylideneamino]guanidine |
| MolecularFormula | C22H14N6Cl6 |
| Smiles | Clc1cc(Cl)c(/C=N\NC(N/N=C\c(ccc(Cl)c2)c2Cl)=N/N=C\c(ccc(Cl)c2)c2Cl)cc1 |
| InChI | InChI=1S/C22H14Cl6N6/c23-16-4-1-13(19(26)7-16)10-29-32-22(33-30-11-14-2-5-17(24)8-20(14)27)34-31-12-15-3-6-18(25)9-21(15)28/h1-12H,(H2,32,33,34) |
| InChIK | HZUILQAXNGXWNC-UHFFFAOYSA-N |
| TotalMolweight | 575.113 |
| Molweight | 575.113 |
| MonoisotopicMass | 571.941106 |
| CLogP | 10.419 |
| CLogS | -11.438 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 405.47 |
| Relative PSA | 0.17007 |
| PolarSurfaceArea | 73.5 |
| Druglikeness | 3.1109 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 11 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1,2,3-tris[(Z)-(2,4-dichlorophenyl)methylideneamino]guanidine | 2 - 1,2,3-tris[(Z)-(2,4-dichlorophenyl)methylideneamino]guanidine
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