2-(naphthalen-1-ylamino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C17H15N3OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(naphthalen-1-ylamino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(naphthalen-1-ylamino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C17H15N3OS |
| Smiles | O=C(CNc1cccc2ccccc12)N/N=C\c1cccs1 |
| InChI | InChI=1S/C17H15N3OS/c21-17(20-19-11-14-7-4-10-22-14)12-18-16-9-3-6-13-5-1-2-8-15(13)16/h1-11,18H,12H2,(H,20,21) |
| InChIK | NMWKVWOHOBFXMY-UHFFFAOYSA-N |
| TotalMolweight | 309.392 |
| Molweight | 309.392 |
| MonoisotopicMass | 309.093582 |
| CLogP | 3.5545 |
| CLogS | -5.159 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 242.75 |
| Relative PSA | 0.27942 |
| PolarSurfaceArea | 81.73 |
| Druglikeness | 6.5342 |
| Mutagenic | high |
| Tumorigenic | high |
| 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 | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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