[(E)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate
Formula:C11H8N3O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate is a drug-like molecule.
| MolName | [(E)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate |
| MolecularFormula | C11H8N3O3Cl |
| Smiles | N/C(/c1ccno1)=N/OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C11H8ClN3O3/c12-8-3-1-7(2-4-8)11(16)18-15-10(13)9-5-6-14-17-9/h1-6H,(H2,13,15) |
| InChIK | INUNELXUMOMTIP-UHFFFAOYSA-N |
| TotalMolweight | 265.656 |
| Molweight | 265.656 |
| MonoisotopicMass | 265.025419 |
| CLogP | 2.1424 |
| CLogS | -3.393 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 196.13 |
| Relative PSA | 0.38189 |
| PolarSurfaceArea | 90.71 |
| Druglikeness | -1.7989 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| 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 | 1 |
| StereoCon |
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1 - [(E)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate | 2 - [(E)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate
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