2-(pyridin-4-ylmethyl)-1-[(Z)-quinolin-4-ylmethylideneamino]guanidine
Formula:C17H16N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(pyridin-4-ylmethyl)-1-[(Z)-quinolin-4-ylmethylideneamino]guanidine is a drug-like molecule.
| MolName | 2-(pyridin-4-ylmethyl)-1-[(Z)-quinolin-4-ylmethylideneamino]guanidine |
| MolecularFormula | C17H16N6 |
| Smiles | N/C(/N/N=C\c1ccnc2ccccc12)=N\Cc1ccncc1 |
| InChI | InChI=1S/C17H16N6/c18-17(21-11-13-5-8-19-9-6-13)23-22-12-14-7-10-20-16-4-2-1-3-15(14)16/h1-10,12H,11H2,(H3,18,21,23) |
| InChIK | JISCQQXAOZYKAZ-UHFFFAOYSA-N |
| TotalMolweight | 304.356 |
| Molweight | 304.356 |
| MonoisotopicMass | 304.143644 |
| CLogP | 1.9949 |
| CLogS | -4.104 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 246.61 |
| Relative PSA | 0.2907 |
| PolarSurfaceArea | 88.55 |
| Druglikeness | 3.105 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(pyridin-4-ylmethyl)-1-[(Z)-quinolin-4-ylmethylideneamino]guanidine | 2 - 2-(pyridin-4-ylmethyl)-1-[(Z)-quinolin-4-ylmethylideneamino]guanidine
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