2-(hydroxymethyl)-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
Formula:C13H12N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(hydroxymethyl)-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 2-(hydroxymethyl)-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide |
| MolecularFormula | C13H12N2O2S |
| Smiles | OCc(cccc1)c1C(N/N=C\c1cccs1)=O |
| InChI | InChI=1S/C13H12N2O2S/c16-9-10-4-1-2-6-12(10)13(17)15-14-8-11-5-3-7-18-11/h1-8,16H,9H2,(H,15,17) |
| InChIK | PIHOZAURZHIHOR-UHFFFAOYSA-N |
| TotalMolweight | 260.316 |
| Molweight | 260.316 |
| MonoisotopicMass | 260.061948 |
| CLogP | 2.4709 |
| CLogS | -3.615 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 203.04 |
| Relative PSA | 0.34215 |
| PolarSurfaceArea | 89.93 |
| Druglikeness | 5.8673 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| StereoCon |
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