| MolName | [(Z)-[(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethylidene]amino] N-phenylcarbamate |
| MolecularFormula | C14H16N6O4 |
| Smiles | Nc1nonc1/C(/N1CCOCC1)=N/OC(Nc1ccccc1)=O |
| InChI | InChI=1S/C14H16N6O4/c15-12-11(17-24-18-12)13(20-6-8-22-9-7-20)19-23-14(21)16-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,15,18)(H,16,21) |
| InChIK | PVXORSFKNHEURB-UHFFFAOYSA-N |
| TotalMolweight | 332.319 |
| Molweight | 332.319 |
| MonoisotopicMass | 332.123304 |
| CLogP | 1.8924 |
| CLogS | -2.541 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 252.77 |
| Relative PSA | 0.43866 |
| PolarSurfaceArea | 128.1 |
| Druglikeness | -3.8846 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(Z)-[(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethylidene]amino] N-phenylcarbamate | 2 - [(Z)-[(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethylidene]amino] N-phenylcarbamate