4-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]aniline
Formula:C11H8N3O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
4-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]aniline is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]aniline |
| MolecularFormula | C11H8N3O3Cl |
| Smiles | [O-][N+](c1ccc(/C=N\Nc(cc2)ccc2Cl)o1)=O |
| InChI | InChI=1S/C11H8ClN3O3/c12-8-1-3-9(4-2-8)14-13-7-10-5-6-11(18-10)15(16)17/h1-7,14H |
| InChIK | UFGMNBTUDLNTAC-UHFFFAOYSA-N |
| TotalMolweight | 265.656 |
| Molweight | 265.656 |
| MonoisotopicMass | 265.025419 |
| CLogP | 4.0654 |
| CLogS | -4.552 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 198.02 |
| Relative PSA | 0.34087 |
| PolarSurfaceArea | 83.35 |
| Druglikeness | 1.0033 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| 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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1 - 4-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]aniline | 2 - 4-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]aniline
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