N-[(Z)-furan-2-ylmethylideneamino]-2-naphthalen-1-ylsulfanylacetamide
Formula:C17H14N2O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-2-naphthalen-1-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-2-naphthalen-1-ylsulfanylacetamide |
| MolecularFormula | C17H14N2O2S |
| Smiles | O=C(CSc1cccc2ccccc12)N/N=C\c1ccco1 |
| InChI | InChI=1S/C17H14N2O2S/c20-17(19-18-11-14-7-4-10-21-14)12-22-16-9-3-6-13-5-1-2-8-15(13)16/h1-11H,12H2,(H,19,20) |
| InChIK | TWASTVIYMDWCRZ-UHFFFAOYSA-N |
| TotalMolweight | 310.376 |
| Molweight | 310.376 |
| MonoisotopicMass | 310.077598 |
| CLogP | 3.7975 |
| CLogS | -5.551 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 242.53 |
| Relative PSA | 0.27877 |
| PolarSurfaceArea | 79.9 |
| Druglikeness | 4.6261 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| 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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