[(E)-[1-amino-3-(4-chlorophenyl)sulfonylpropylidene]amino] 2-(trifluoromethyl)benzoate
Formula:C17H14N2O4ClF3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[1-amino-3-(4-chlorophenyl)sulfonylpropylidene]amino] 2-(trifluoromethyl)benzoate is a drug-like molecule.
| MolName | [(E)-[1-amino-3-(4-chlorophenyl)sulfonylpropylidene]amino] 2-(trifluoromethyl)benzoate |
| MolecularFormula | C17H14N2O4ClF3S |
| Smiles | N/C(/CCS(c(cc1)ccc1Cl)(=O)=O)=N/OC(c1c(C(F)(F)F)cccc1)=O |
| InChI | InChI=1S/C17H14ClF3N2O4S/c18-11-5-7-12(8-6-11)28(25,26)10-9-15(22)23-27-16(24)13-3-1-2-4-14(13)17(19,20)21/h1-8H,9-10H2,(H2,22,23) |
| InChIK | QHSODUVKFCSEIW-UHFFFAOYSA-N |
| TotalMolweight | 434.821 |
| Molweight | 434.821 |
| MonoisotopicMass | 434.031489 |
| CLogP | 3.7184 |
| CLogS | -5.431 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 293.24 |
| Relative PSA | 0.26736 |
| PolarSurfaceArea | 107.2 |
| Druglikeness | -18.187 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[1-amino-3-(4-chlorophenyl)sulfonylpropylidene]amino] 2-(trifluoromethyl)benzoate | 2 - [(E)-[1-amino-3-(4-chlorophenyl)sulfonylpropylidene]amino] 2-(trifluoromethyl)benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off