1,2-bis[(Z)-(4-fluorophenyl)methylideneamino]-3-[(E)-(4-fluorophenyl)methylideneamino]guanidine
Formula:C22H17N6F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
1,2-bis[(Z)-(4-fluorophenyl)methylideneamino]-3-[(E)-(4-fluorophenyl)methylideneamino]guanidine is not a drug-like molecule.
| MolName | 1,2-bis[(Z)-(4-fluorophenyl)methylideneamino]-3-[(E)-(4-fluorophenyl)methylideneamino]guanidine |
| MolecularFormula | C22H17N6F3 |
| Smiles | Fc1ccc(/C=N/N/C(/N/N=C\c(cc2)ccc2F)=N\N=C/c(cc2)ccc2F)cc1 |
| InChI | InChI=1S/C22H17F3N6/c23-19-7-1-16(2-8-19)13-26-29-22(30-27-14-17-3-9-20(24)10-4-17)31-28-15-18-5-11-21(25)12-6-18/h1-15H,(H2,29,30,31) |
| InChIK | ZHSVKJZFTZGSQU-UHFFFAOYSA-N |
| TotalMolweight | 422.413 |
| Molweight | 422.413 |
| MonoisotopicMass | 422.146678 |
| CLogP | 7.0851 |
| CLogS | -7.964 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 332 |
| Relative PSA | 0.20771 |
| PolarSurfaceArea | 73.5 |
| Druglikeness | 1.7956 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1,2-bis[(Z)-(4-fluorophenyl)methylideneamino]-3-[(E)-(4-fluorophenyl)methylideneamino]guanidine | 2 - 1,2-bis[(Z)-(4-fluorophenyl)methylideneamino]-3-[(E)-(4-fluorophenyl)methylideneamino]guanidine
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