| MolName | [(Z)-[amino(1,2,4-oxadiazol-3-yl)methylidene]amino] 2-fluorobenzoate |
| MolecularFormula | C10H7N4O3F |
| Smiles | N/C(/c1nocn1)=N\OC(c(cccc1)c1F)=O |
| InChI | InChI=1S/C10H7FN4O3/c11-7-4-2-1-3-6(7)10(16)18-14-8(12)9-13-5-17-15-9/h1-5H,(H2,12,14) |
| InChIK | PRNAVHQJJJVPGP-UHFFFAOYSA-N |
| TotalMolweight | 250.189 |
| Molweight | 250.189 |
| MonoisotopicMass | 250.050219 |
| CLogP | 1.349 |
| CLogS | -2.608 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 185.82 |
| Relative PSA | 0.46211 |
| PolarSurfaceArea | 103.6 |
| Druglikeness | -3.424 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-[amino(1,2,4-oxadiazol-3-yl)methylidene]amino] 2-fluorobenzoate | 2 - [(Z)-[amino(1,2,4-oxadiazol-3-yl)methylidene]amino] 2-fluorobenzoate