N-[(Z)-furan-3-ylmethylideneamino]-4-nitrobenzamide
Formula:C12H9N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-3-ylmethylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-furan-3-ylmethylideneamino]-4-nitrobenzamide |
| MolecularFormula | C12H9N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c1cocc1)=O)=O |
| InChI | InChI=1S/C12H9N3O4/c16-12(14-13-7-9-5-6-19-8-9)10-1-3-11(4-2-10)15(17)18/h1-8H,(H,14,16) |
| InChIK | XPSMWWWBBOYZGV-UHFFFAOYSA-N |
| TotalMolweight | 259.22 |
| Molweight | 259.22 |
| MonoisotopicMass | 259.059307 |
| CLogP | 1.4147 |
| CLogS | -3.839 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 200.35 |
| Relative PSA | 0.402 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | -0.94478 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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