[(E)-[amino-(4-nitrophenyl)methylidene]amino] furan-2-carboxylate
Formula:C12H9N3O5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(4-nitrophenyl)methylidene]amino] furan-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(4-nitrophenyl)methylidene]amino] furan-2-carboxylate |
| MolecularFormula | C12H9N3O5 |
| Smiles | N/C(/c(cc1)ccc1[N+]([O-])=O)=N/OC(c1ccco1)=O |
| InChI | InChI=1S/C12H9N3O5/c13-11(8-3-5-9(6-4-8)15(17)18)14-20-12(16)10-2-1-7-19-10/h1-7H,(H2,13,14) |
| InChIK | INTOWVJEUWYCFQ-UHFFFAOYSA-N |
| TotalMolweight | 275.219 |
| Molweight | 275.219 |
| MonoisotopicMass | 275.054222 |
| CLogP | 1.3392 |
| CLogS | -3.678 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 205.62 |
| Relative PSA | 0.45886 |
| PolarSurfaceArea | 123.64 |
| Druglikeness | -6.9888 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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