[3-oxo-3-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]propyl]azanium
Formula:C13H15N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[3-oxo-3-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]propyl]azanium is a drug-like molecule.
| MolName | [3-oxo-3-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]propyl]azanium |
| MolecularFormula | C13H15N4O |
| Smiles | [NH3+]CCC(N/N=C\c1cccc2cccnc12)=O |
| InChI | InChI=1S/C13H14N4O/c14-7-6-12(18)17-16-9-11-4-1-3-10-5-2-8-15-13(10)11/h1-5,8-9H,6-7,14H2,(H,17,18)/p+1 |
| InChIK | UCPVVPGFUHXYSU-UHFFFAOYSA-O |
| TotalMolweight | 243.289 |
| Molweight | 243.289 |
| MonoisotopicMass | 243.124586 |
| CLogP | -1.9671 |
| CLogS | -3.096 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 195.84 |
| Relative PSA | 0.31383 |
| PolarSurfaceArea | 81.99 |
| Druglikeness | 2.8765 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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