| MolName | [(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] N-(3-chlorophenyl)carbamate |
| MolecularFormula | C10H9N6O3Cl |
| Smiles | N/C(/c1nonc1N)=N/OC(Nc1cccc(Cl)c1)=O |
| InChI | InChI=1S/C10H9ClN6O3/c11-5-2-1-3-6(4-5)14-10(18)19-16-8(12)7-9(13)17-20-15-7/h1-4H,(H2,12,16)(H2,13,17)(H,14,18) |
| InChIK | YYPLGXMYILLXNI-UHFFFAOYSA-N |
| TotalMolweight | 296.673 |
| Molweight | 296.673 |
| MonoisotopicMass | 296.042466 |
| CLogP | 1.9114 |
| CLogS | -3.656 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 214.87 |
| Relative PSA | 0.52404 |
| PolarSurfaceArea | 141.65 |
| Druglikeness | -5.4248 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] N-(3-chlorophenyl)carbamate | 2 - [(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] N-(3-chlorophenyl)carbamate