N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]aniline
Formula:C11H9N3O2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]aniline is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]aniline |
| MolecularFormula | C11H9N3O2S |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2ccccc2)s1)=O |
| InChI | InChI=1S/C11H9N3O2S/c15-14(16)11-7-6-10(17-11)8-12-13-9-4-2-1-3-5-9/h1-8,13H |
| InChIK | VBWBFLSOZPTZSJ-UHFFFAOYSA-N |
| TotalMolweight | 247.277 |
| Molweight | 247.277 |
| MonoisotopicMass | 247.041547 |
| CLogP | 3.9755 |
| CLogS | -3.769 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 188.85 |
| Relative PSA | 0.39052 |
| PolarSurfaceArea | 98.45 |
| Druglikeness | -1.633 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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