[(E)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 4-(trifluoromethyl)benzoate
Formula:C16H12N2O4ClF3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 4-(trifluoromethyl)benzoate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 4-(trifluoromethyl)benzoate |
| MolecularFormula | C16H12N2O4ClF3S |
| Smiles | N/C(/CS(c(cc1)ccc1Cl)(=O)=O)=N/OC(c1ccc(C(F)(F)F)cc1)=O |
| InChI | InChI=1S/C16H12ClF3N2O4S/c17-12-5-7-13(8-6-12)27(24,25)9-14(21)22-26-15(23)10-1-3-11(4-2-10)16(18,19)20/h1-8H,9H2,(H2,21,22) |
| InChIK | NIVUMZJCYUERJH-UHFFFAOYSA-N |
| TotalMolweight | 420.794 |
| Molweight | 420.794 |
| MonoisotopicMass | 420.015839 |
| CLogP | 3.264 |
| CLogS | -5.161 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 279.48 |
| Relative PSA | 0.28052 |
| PolarSurfaceArea | 107.2 |
| Druglikeness | -12.895 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 4-(trifluoromethyl)benzoate | 2 - [(E)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 4-(trifluoromethyl)benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off