N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]thiophene-2-carboxamide
Formula:C19H14N2O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C19H14N2O2S |
| Smiles | C#CCOc1c(/C=N\NC(c2cccs2)=O)c2ccccc2cc1 |
| InChI | InChI=1S/C19H14N2O2S/c1-2-11-23-17-10-9-14-6-3-4-7-15(14)16(17)13-20-21-19(22)18-8-5-12-24-18/h1,3-10,12-13H,11H2,(H,21,22) |
| InChIK | YQPGHXJPXYCSBG-UHFFFAOYSA-N |
| TotalMolweight | 334.398 |
| Molweight | 334.398 |
| MonoisotopicMass | 334.077598 |
| CLogP | 4.2198 |
| CLogS | -5.979 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 265.1 |
| Relative PSA | 0.25036 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 5.9388 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| StereoCon |
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