[(E)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2,2,2-trifluoroacetate
Formula:C10H8N2O4ClF3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2,2,2-trifluoroacetate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2,2,2-trifluoroacetate |
| MolecularFormula | C10H8N2O4ClF3S |
| Smiles | N/C(/CS(c(cc1)ccc1Cl)(=O)=O)=N/OC(C(F)(F)F)=O |
| InChI | InChI=1S/C10H8ClF3N2O4S/c11-6-1-3-7(4-2-6)21(18,19)5-8(15)16-20-9(17)10(12,13)14/h1-4H,5H2,(H2,15,16) |
| InChIK | FSQALGZLWKDTRK-UHFFFAOYSA-N |
| TotalMolweight | 344.697 |
| Molweight | 344.697 |
| MonoisotopicMass | 343.984539 |
| CLogP | 1.4562 |
| CLogS | -3.953 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 219.72 |
| Relative PSA | 0.35682 |
| PolarSurfaceArea | 107.2 |
| Druglikeness | -42.167 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2,2,2-trifluoroacetate | 2 - [(E)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2,2,2-trifluoroacetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off