N-[(Z)-furan-2-ylmethylideneamino]-2-piperidin-1-ium-1-ylacetamide
Formula:C12H18N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-2-piperidin-1-ium-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-2-piperidin-1-ium-1-ylacetamide |
| MolecularFormula | C12H18N3O2 |
| Smiles | O=C(C[NH+]1CCCCC1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C12H17N3O2/c16-12(10-15-6-2-1-3-7-15)14-13-9-11-5-4-8-17-11/h4-5,8-9H,1-3,6-7,10H2,(H,14,16)/p+1 |
| InChIK | BLDGNZWCNWYAEM-UHFFFAOYSA-O |
| TotalMolweight | 236.294 |
| Molweight | 236.294 |
| MonoisotopicMass | 236.139902 |
| CLogP | -0.7367 |
| CLogS | -2.312 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 210.32 |
| Relative PSA | 0.32194 |
| PolarSurfaceArea | 59.04 |
| Druglikeness | 0.92836 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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