(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H10NO3FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H10NO3FS2 |
| Smiles | O=C(/C(/SC1=S)=C/c(cc2)cc3c2OCO3)N1c1cc(F)ccc1 |
| InChI | InChI=1S/C17H10FNO3S2/c18-11-2-1-3-12(8-11)19-16(20)15(24-17(19)23)7-10-4-5-13-14(6-10)22-9-21-13/h1-8H,9H2 |
| InChIK | ZTOLLFZMCWMMSG-UHFFFAOYSA-N |
| TotalMolweight | 359.4 |
| Molweight | 359.4 |
| MonoisotopicMass | 359.008612 |
| CLogP | 3.1045 |
| CLogS | -6.008 |
| H Acceptors | 4 |
| TotalSurfaceArea | 249.09 |
| Relative PSA | 0.32952 |
| PolarSurfaceArea | 96.16 |
| Druglikeness | 1.3933 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off