[(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-thiophen-2-ylacetate
Formula:C13H11N2O2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-thiophen-2-ylacetate is a drug-like molecule.
| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-thiophen-2-ylacetate |
| MolecularFormula | C13H11N2O2ClS |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(Cc1cccs1)=O |
| InChI | InChI=1S/C13H11ClN2O2S/c14-10-5-3-9(4-6-10)13(15)16-18-12(17)8-11-2-1-7-19-11/h1-7H,8H2,(H2,15,16) |
| InChIK | AUTVACUUHKYOTB-UHFFFAOYSA-N |
| TotalMolweight | 294.761 |
| Molweight | 294.761 |
| MonoisotopicMass | 294.022975 |
| CLogP | 3.5428 |
| CLogS | -4.247 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 217.38 |
| Relative PSA | 0.32284 |
| PolarSurfaceArea | 92.92 |
| Druglikeness | -1.2092 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-thiophen-2-ylacetate | 2 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-thiophen-2-ylacetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off