[(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] thiophene-2-carboxylate
Formula:C13H12N2O4S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] thiophene-2-carboxylate |
| MolecularFormula | C13H12N2O4S2 |
| Smiles | N/C(/CS(c1ccccc1)(=O)=O)=N/OC(c1cccs1)=O |
| InChI | InChI=1S/C13H12N2O4S2/c14-12(15-19-13(16)11-7-4-8-20-11)9-21(17,18)10-5-2-1-3-6-10/h1-8H,9H2,(H2,14,15) |
| InChIK | ZVUUGHJMSAXFOO-UHFFFAOYSA-N |
| TotalMolweight | 324.38 |
| Molweight | 324.38 |
| MonoisotopicMass | 324.023848 |
| CLogP | 1.6763 |
| CLogS | -3.657 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 230.54 |
| Relative PSA | 0.42839 |
| PolarSurfaceArea | 135.44 |
| Druglikeness | -12.627 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] thiophene-2-carboxylate | 2 - [(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] thiophene-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off