2-chloro-N-[(Z)-furan-2-ylmethylideneamino]-4-nitrobenzamide
Formula:C12H8N3O4Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-furan-2-ylmethylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-furan-2-ylmethylideneamino]-4-nitrobenzamide |
| MolecularFormula | C12H8N3O4Cl |
| Smiles | [O-][N+](c(cc1)cc(Cl)c1C(N/N=C\c1ccco1)=O)=O |
| InChI | InChI=1S/C12H8ClN3O4/c13-11-6-8(16(18)19)3-4-10(11)12(17)15-14-7-9-2-1-5-20-9/h1-7H,(H,15,17) |
| InChIK | QOAJNHLBTPDVJS-UHFFFAOYSA-N |
| TotalMolweight | 293.666 |
| Molweight | 293.666 |
| MonoisotopicMass | 293.020334 |
| CLogP | 2.0747 |
| CLogS | -4.599 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 215.77 |
| Relative PSA | 0.37327 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | -0.84656 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-chloro-N-[(Z)-furan-2-ylmethylideneamino]-4-nitrobenzamide | 2 - 2-chloro-N-[(Z)-furan-2-ylmethylideneamino]-4-nitrobenzamide
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