2-naphthalen-1-yl-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
Formula:C17H14N2OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-naphthalen-1-yl-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-naphthalen-1-yl-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide |
| MolecularFormula | C17H14N2OS |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c1cscc1 |
| InChI | InChI=1S/C17H14N2OS/c20-17(19-18-11-13-8-9-21-12-13)10-15-6-3-5-14-4-1-2-7-16(14)15/h1-9,11-12H,10H2,(H,19,20) |
| InChIK | QFZUUOSBCMMRRX-UHFFFAOYSA-N |
| TotalMolweight | 294.377 |
| Molweight | 294.377 |
| MonoisotopicMass | 294.082683 |
| CLogP | 4.1785 |
| CLogS | -5.192 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 231.29 |
| Relative PSA | 0.24372 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 4.8939 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| 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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