(5Z)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H10N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H10N2OS2 |
| Smiles | C#CCn1c(cccc2)c2c(/C=C(/C(N2)=O)\SC2=S)c1 |
| InChI | InChI=1S/C15H10N2OS2/c1-2-7-17-9-10(11-5-3-4-6-12(11)17)8-13-14(18)16-15(19)20-13/h1,3-6,8-9H,7H2,(H,16,18,19) |
| InChIK | AYIZOJOVXZPTCN-UHFFFAOYSA-N |
| TotalMolweight | 298.389 |
| Molweight | 298.389 |
| MonoisotopicMass | 298.023453 |
| CLogP | 1.1933 |
| CLogS | -4.017 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 225.25 |
| Relative PSA | 0.34122 |
| PolarSurfaceArea | 91.42 |
| Druglikeness | 4.2017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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