3-N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,2,4-triazole-3,4-diamine
Formula:C16H12N6OBr2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,2,4-triazole-3,4-diamine is not a drug-like molecule.
| MolName | 3-N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,2,4-triazole-3,4-diamine |
| MolecularFormula | C16H12N6OBr2Cl2 |
| Smiles | Nn1c(N/N=C\c2cc(Br)cc(Br)c2OCc(ccc(Cl)c2)c2Cl)nnc1 |
| InChI | InChI=1S/C16H12Br2Cl2N6O/c17-11-3-10(6-22-24-16-25-23-8-26(16)21)15(13(18)4-11)27-7-9-1-2-12(19)5-14(9)20/h1-6,8H,7,21H2,(H,24,25) |
| InChIK | LCXQYPHIFJWUTA-UHFFFAOYSA-N |
| TotalMolweight | 535.026 |
| Molweight | 535.026 |
| MonoisotopicMass | 531.881635 |
| CLogP | 7.0133 |
| CLogS | -9.235 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 316.1 |
| Relative PSA | 0.24375 |
| PolarSurfaceArea | 90.35 |
| Druglikeness | -0.21586 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,2,4-triazole-3,4-diamine | 2 - 3-N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,2,4-triazole-3,4-diamine
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