[3-oxo-3-[(2Z)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]propyl]azanium
Formula:C12H14N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-oxo-3-[(2Z)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]propyl]azanium is a drug-like molecule.
| MolName | [3-oxo-3-[(2Z)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]propyl]azanium |
| MolecularFormula | C12H14N5O |
| Smiles | [NH3+]CCC(N/N=C\c1cc2nccnc2cc1)=O |
| InChI | InChI=1S/C12H13N5O/c13-4-3-12(18)17-16-8-9-1-2-10-11(7-9)15-6-5-14-10/h1-2,5-8H,3-4,13H2,(H,17,18)/p+1 |
| InChIK | ODOIKLMXYSBSKH-UHFFFAOYSA-O |
| TotalMolweight | 244.277 |
| Molweight | 244.277 |
| MonoisotopicMass | 244.119835 |
| CLogP | -2.8455 |
| CLogS | -2.196 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 194.6 |
| Relative PSA | 0.3722 |
| PolarSurfaceArea | 94.88 |
| Druglikeness | 2.8765 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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