[6-oxo-6-[(2Z)-2-(quinoxalin-5-ylmethylidene)hydrazinyl]hexyl]azanium
Formula:C15H20N5O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[6-oxo-6-[(2Z)-2-(quinoxalin-5-ylmethylidene)hydrazinyl]hexyl]azanium is a drug-like molecule.
| MolName | [6-oxo-6-[(2Z)-2-(quinoxalin-5-ylmethylidene)hydrazinyl]hexyl]azanium |
| MolecularFormula | C15H20N5O |
| Smiles | [NH3+]CCCCCC(N/N=C\c1cccc2nccnc12)=O |
| InChI | InChI=1S/C15H19N5O/c16-8-3-1-2-7-14(21)20-19-11-12-5-4-6-13-15(12)18-10-9-17-13/h4-6,9-11H,1-3,7-8,16H2,(H,20,21)/p+1 |
| InChIK | QOLYJAPLRZSFNQ-UHFFFAOYSA-O |
| TotalMolweight | 286.358 |
| Molweight | 286.358 |
| MonoisotopicMass | 286.166785 |
| CLogP | -1.4823 |
| CLogS | -3.006 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 235.88 |
| Relative PSA | 0.30706 |
| PolarSurfaceArea | 94.88 |
| Druglikeness | -5.6129 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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