2-chloro-5-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]benzoic acid
Formula:C12H8N3O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-chloro-5-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 2-chloro-5-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C12H8N3O5Cl |
| Smiles | [O-][N+](c1ccc(/C=N\Nc(cc2)cc(C(O)=O)c2Cl)o1)=O |
| InChI | InChI=1S/C12H8ClN3O5/c13-10-3-1-7(5-9(10)12(17)18)15-14-6-8-2-4-11(21-8)16(19)20/h1-6,15H,(H,17,18) |
| InChIK | ZVWIDRXGUQRMLT-UHFFFAOYSA-N |
| TotalMolweight | 309.665 |
| Molweight | 309.665 |
| MonoisotopicMass | 309.015249 |
| CLogP | 3.5505 |
| CLogS | -4.565 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 222.12 |
| Relative PSA | 0.42157 |
| PolarSurfaceArea | 120.65 |
| Druglikeness | 0.8755 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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