(5Z)-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C14H9NOS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C14H9NOS2 |
| Smiles | O=C(/C(/S1)=C/c2cc3ccccc3cc2)NC1=S |
| InChI | InChI=1S/C14H9NOS2/c16-13-12(18-14(17)15-13)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,(H,15,16,17) |
| InChIK | ATGWUPYXIYFRKP-UHFFFAOYSA-N |
| TotalMolweight | 271.363 |
| Molweight | 271.363 |
| MonoisotopicMass | 271.012554 |
| CLogP | 2.3386 |
| CLogS | -5.106 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 198.48 |
| Relative PSA | 0.35263 |
| PolarSurfaceArea | 86.49 |
| Druglikeness | 2.3511 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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