[(E)-[amino(phenyl)methylidene]amino] furan-2-carboxylate
Formula:C12H10N2O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(phenyl)methylidene]amino] furan-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] furan-2-carboxylate |
| MolecularFormula | C12H10N2O3 |
| Smiles | N/C(/c1ccccc1)=N/OC(c1ccco1)=O |
| InChI | InChI=1S/C12H10N2O3/c13-11(9-5-2-1-3-6-9)14-17-12(15)10-7-4-8-16-10/h1-8H,(H2,13,14) |
| InChIK | FAHFPXYENKQFMS-UHFFFAOYSA-N |
| TotalMolweight | 230.222 |
| Molweight | 230.222 |
| MonoisotopicMass | 230.069143 |
| CLogP | 2.2608 |
| CLogS | -3.218 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 181.95 |
| Relative PSA | 0.35136 |
| PolarSurfaceArea | 77.82 |
| Druglikeness | -2.0242 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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