(5Z)-3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H8N2OClF3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H8N2OClF3S2 |
| Smiles | O=C(/C(/SC1=S)=C/c2cnccc2)N1c(cc1)cc(C(F)(F)F)c1Cl |
| InChI | InChI=1S/C16H8ClF3N2OS2/c17-12-4-3-10(7-11(12)16(18,19)20)22-14(23)13(25-15(22)24)6-9-2-1-5-21-8-9/h1-8H |
| InChIK | PQUVDUWKXKGPBM-UHFFFAOYSA-N |
| TotalMolweight | 400.832 |
| Molweight | 400.832 |
| MonoisotopicMass | 399.971864 |
| CLogP | 3.3457 |
| CLogS | -5.702 |
| H Acceptors | 3 |
| TotalSurfaceArea | 266.12 |
| Relative PSA | 0.2745 |
| PolarSurfaceArea | 90.59 |
| Druglikeness | -4.3604 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
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