N-[(Z)-[4-(2-phenylethynyl)thiophen-2-yl]methylideneamino]aniline
Formula:C19H14N2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[4-(2-phenylethynyl)thiophen-2-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[4-(2-phenylethynyl)thiophen-2-yl]methylideneamino]aniline |
| MolecularFormula | C19H14N2S |
| Smiles | C(c1cc(C#Cc2ccccc2)cs1)=N\Nc1ccccc1 |
| InChI | InChI=1S/C19H14N2S/c1-3-7-16(8-4-1)11-12-17-13-19(22-15-17)14-20-21-18-9-5-2-6-10-18/h1-10,13-15,21H |
| InChIK | MEHZEYXJYRQLQT-UHFFFAOYSA-N |
| TotalMolweight | 302.4 |
| Molweight | 302.4 |
| MonoisotopicMass | 302.087768 |
| CLogP | 6.8915 |
| CLogS | -4.195 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 254.74 |
| Relative PSA | 0.17009 |
| PolarSurfaceArea | 52.63 |
| Druglikeness | 0.0355 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| StereoCon |
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