N-[(Z)-(4-chlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
Formula:C16H11N6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine |
| MolecularFormula | C16H11N6Cl |
| Smiles | Clc1ccc(/C=N\Nc2nc(cccc3)c3n3c2nnc3)cc1 |
| InChI | InChI=1S/C16H11ClN6/c17-12-7-5-11(6-8-12)9-18-21-15-16-22-19-10-23(16)14-4-2-1-3-13(14)20-15/h1-10H,(H,20,21) |
| InChIK | JINRDAVHZLFNIB-UHFFFAOYSA-N |
| TotalMolweight | 322.758 |
| Molweight | 322.758 |
| MonoisotopicMass | 322.073371 |
| CLogP | 4.789 |
| CLogS | -6.427 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 240.79 |
| Relative PSA | 0.26509 |
| PolarSurfaceArea | 67.47 |
| Druglikeness | 3.7988 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
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