[(Z)-naphthalen-1-ylmethylideneamino] thiophene-2-carboxylate
Formula:C16H11NO2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-naphthalen-1-ylmethylideneamino] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [(Z)-naphthalen-1-ylmethylideneamino] thiophene-2-carboxylate |
| MolecularFormula | C16H11NO2S |
| Smiles | O=C(c1cccs1)O/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C16H11NO2S/c18-16(15-9-4-10-20-15)19-17-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-11H |
| InChIK | FBMVYZYDSQNVEG-UHFFFAOYSA-N |
| TotalMolweight | 281.334 |
| Molweight | 281.334 |
| MonoisotopicMass | 281.051049 |
| CLogP | 4.9791 |
| CLogS | -5.387 |
| H Acceptors | 3 |
| TotalSurfaceArea | 216.07 |
| Relative PSA | 0.25413 |
| PolarSurfaceArea | 66.9 |
| Druglikeness | -0.57584 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| StereoCon |
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