[2-[(Z)-[(Z)-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate
Formula:C20H16N3O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[(Z)-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate is a drug-like molecule.
| MolName | [2-[(Z)-[(Z)-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate |
| MolecularFormula | C20H16N3O3FS |
| Smiles | O=C(C1CC1)Oc1c(/C=N\N=C(\N2c3cc(F)ccc3)/SCC2=O)cccc1 |
| InChI | InChI=1S/C20H16FN3O3S/c21-15-5-3-6-16(10-15)24-18(25)12-28-20(24)23-22-11-14-4-1-2-7-17(14)27-19(26)13-8-9-13/h1-7,10-11,13H,8-9,12H2 |
| InChIK | GZHIOFRMPHKICN-UHFFFAOYSA-N |
| TotalMolweight | 397.429 |
| Molweight | 397.429 |
| MonoisotopicMass | 397.08964 |
| CLogP | 4.7224 |
| CLogS | -6.124 |
| H Acceptors | 6 |
| TotalSurfaceArea | 287.17 |
| Relative PSA | 0.27907 |
| PolarSurfaceArea | 96.63 |
| Druglikeness | 3.5202 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-[(Z)-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate | 2 - [2-[(Z)-[(Z)-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off