2-[(Z)-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine
Formula:C15H15N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine is a drug-like molecule.
| MolName | 2-[(Z)-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine |
| MolecularFormula | C15H15N6 |
| Smiles | NC(N)=N/N=C\c(cc1)ccc1-c1c[n+](cccc2)c2[nH]1 |
| InChI | InChI=1S/C15H14N6/c16-15(17)20-18-9-11-4-6-12(7-5-11)13-10-21-8-2-1-3-14(21)19-13/h1-10H,(H4,16,17,20)/p+1 |
| InChIK | AJSVGKITUJGKRF-UHFFFAOYSA-O |
| TotalMolweight | 279.326 |
| Molweight | 279.326 |
| MonoisotopicMass | 279.135819 |
| CLogP | 1.9998 |
| CLogS | -6.049 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 198.09 |
| Relative PSA | 0.2462 |
| PolarSurfaceArea | 96.65 |
| Druglikeness | 2.1912 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine | 2 - 2-[(Z)-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine
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