2-chloro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline
Formula:C11H9N2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline is not a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline |
| MolecularFormula | C11H9N2ClS |
| Smiles | Clc(cccc1)c1N/N=C\c1cccs1 |
| InChI | InChI=1S/C11H9ClN2S/c12-10-5-1-2-6-11(10)14-13-8-9-4-3-7-15-9/h1-8,14H |
| InChIK | KBNIZAWQQIQBJV-UHFFFAOYSA-N |
| TotalMolweight | 236.725 |
| Molweight | 236.725 |
| MonoisotopicMass | 236.017495 |
| CLogP | 5.3135 |
| CLogS | -3.895 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 180.6 |
| Relative PSA | 0.23992 |
| PolarSurfaceArea | 52.63 |
| Druglikeness | 4.1212 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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