[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-thiophen-2-ylacetate
Formula:C12H11N3O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-thiophen-2-ylacetate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-thiophen-2-ylacetate |
| MolecularFormula | C12H11N3O2S |
| Smiles | N/C(/c1cnccc1)=N/OC(Cc1cccs1)=O |
| InChI | InChI=1S/C12H11N3O2S/c13-12(9-3-1-5-14-8-9)15-17-11(16)7-10-4-2-6-18-10/h1-6,8H,7H2,(H2,13,15) |
| InChIK | HUPNQJSJFLHVAP-UHFFFAOYSA-N |
| TotalMolweight | 261.304 |
| Molweight | 261.304 |
| MonoisotopicMass | 261.057197 |
| CLogP | 1.9359 |
| CLogS | -2.716 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 200.72 |
| Relative PSA | 0.40429 |
| PolarSurfaceArea | 105.81 |
| Druglikeness | -1.2817 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-thiophen-2-ylacetate | 2 - [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-thiophen-2-ylacetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off