N'-[(Z)-furan-2-ylmethylideneamino]-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
Formula:C14H21N4O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-furan-2-ylmethylideneamino]-N-(3-morpholin-4-ium-4-ylpropyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-furan-2-ylmethylideneamino]-N-(3-morpholin-4-ium-4-ylpropyl)oxamide |
| MolecularFormula | C14H21N4O4 |
| Smiles | O=C(C(N/N=C\c1ccco1)=O)NCCC[NH+]1CCOCC1 |
| InChI | InChI=1S/C14H20N4O4/c19-13(14(20)17-16-11-12-3-1-8-22-12)15-4-2-5-18-6-9-21-10-7-18/h1,3,8,11H,2,4-7,9-10H2,(H,15,19)(H,17,20)/p+1 |
| InChIK | XRNNRRJISQBWLI-UHFFFAOYSA-O |
| TotalMolweight | 309.345 |
| Molweight | 309.345 |
| MonoisotopicMass | 309.156281 |
| CLogP | -2.3626 |
| CLogS | -1.46 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 263.29 |
| Relative PSA | 0.3882 |
| PolarSurfaceArea | 97.37 |
| Druglikeness | 2.0627 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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