| MolName | [(Z)-[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] N-phenylcarbamate |
| MolecularFormula | C14H11N5O3 |
| Smiles | N/C(/c1cc2nonc2cc1)=N\OC(Nc1ccccc1)=O |
| InChI | InChI=1S/C14H11N5O3/c15-13(9-6-7-11-12(8-9)18-22-17-11)19-21-14(20)16-10-4-2-1-3-5-10/h1-8H,(H2,15,19)(H,16,20) |
| InChIK | FZXDSAXCBBNWMC-UHFFFAOYSA-N |
| TotalMolweight | 297.273 |
| Molweight | 297.273 |
| MonoisotopicMass | 297.08619 |
| CLogP | 3.0167 |
| CLogS | -3.691 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 225.53 |
| Relative PSA | 0.43156 |
| PolarSurfaceArea | 115.63 |
| Druglikeness | -4.7198 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(Z)-[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] N-phenylcarbamate | 2 - [(Z)-[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] N-phenylcarbamate