3-amino-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide
Formula:C12H11N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-amino-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 3-amino-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide |
| MolecularFormula | C12H11N3OS |
| Smiles | Nc1cccc(C(N/N=C\c2cscc2)=O)c1 |
| InChI | InChI=1S/C12H11N3OS/c13-11-3-1-2-10(6-11)12(16)15-14-7-9-4-5-17-8-9/h1-8H,13H2,(H,15,16) |
| InChIK | OXRBVTMDOVKZDB-UHFFFAOYSA-N |
| TotalMolweight | 245.305 |
| Molweight | 245.305 |
| MonoisotopicMass | 245.062282 |
| CLogP | 2.3087 |
| CLogS | -3.697 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 191.45 |
| Relative PSA | 0.3742 |
| PolarSurfaceArea | 95.72 |
| Druglikeness | 4.8722 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-amino-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide | 2 - 3-amino-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off