[(E)-[amino(1,2,4-oxadiazol-3-yl)methylidene]amino] benzoate
Formula:C10H8N4O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino(1,2,4-oxadiazol-3-yl)methylidene]amino] benzoate is a drug-like molecule.
| MolName | [(E)-[amino(1,2,4-oxadiazol-3-yl)methylidene]amino] benzoate |
| MolecularFormula | C10H8N4O3 |
| Smiles | N/C(/c1nocn1)=N/OC(c1ccccc1)=O |
| InChI | InChI=1S/C10H8N4O3/c11-8(9-12-6-16-14-9)13-17-10(15)7-4-2-1-3-5-7/h1-6H,(H2,11,13) |
| InChIK | LZCAZDBLXGLETN-UHFFFAOYSA-N |
| TotalMolweight | 232.199 |
| Molweight | 232.199 |
| MonoisotopicMass | 232.059641 |
| CLogP | 1.2482 |
| CLogS | -2.294 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 179.47 |
| Relative PSA | 0.47846 |
| PolarSurfaceArea | 103.6 |
| Druglikeness | -2.084 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(E)-[amino(1,2,4-oxadiazol-3-yl)methylidene]amino] benzoate | 2 - [(E)-[amino(1,2,4-oxadiazol-3-yl)methylidene]amino] benzoate
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