(5Z)-5-[[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H9N2O4F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H9N2O4F3S2 |
| Smiles | [O-][N+](c(cc(C(F)(F)F)cc1)c1Oc1cccc(/C=C(/C(N2)=O)\SC2=S)c1)=O |
| InChI | InChI=1S/C17H9F3N2O4S2/c18-17(19,20)10-4-5-13(12(8-10)22(24)25)26-11-3-1-2-9(6-11)7-14-15(23)21-16(27)28-14/h1-8H,(H,21,23,27) |
| InChIK | OPYQBYGZNMVQLE-UHFFFAOYSA-N |
| TotalMolweight | 426.394 |
| Molweight | 426.394 |
| MonoisotopicMass | 425.995582 |
| CLogP | 2.4665 |
| CLogS | -7.035 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 286.77 |
| Relative PSA | 0.38501 |
| PolarSurfaceArea | 141.54 |
| Druglikeness | -9.8927 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off