N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2H-tetrazol-5-amine
Formula:C8H6N6Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2H-tetrazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2H-tetrazol-5-amine |
| MolecularFormula | C8H6N6Cl2 |
| Smiles | Clc1cc(Cl)c(/C=N\Nc2n[nH]nn2)cc1 |
| InChI | InChI=1S/C8H6Cl2N6/c9-6-2-1-5(7(10)3-6)4-11-12-8-13-15-16-14-8/h1-4H,(H2,12,13,14,15,16) |
| InChIK | YNLKEBROGQKJAX-UHFFFAOYSA-N |
| TotalMolweight | 257.084 |
| Molweight | 257.084 |
| MonoisotopicMass | 256.003098 |
| CLogP | 4.0458 |
| CLogS | -4.029 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 185.93 |
| Relative PSA | 0.37579 |
| PolarSurfaceArea | 78.85 |
| Druglikeness | -1.4391 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2H-tetrazol-5-amine | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2H-tetrazol-5-amine
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