6-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
Formula:C15H15N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate is a drug-like molecule.
| MolName | 6-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate |
| MolecularFormula | C15H15N2O3S2 |
| Smiles | [O-]C(CCCCCN(C(/C(/S1)=C/c2cnccc2)=O)C1=S)=O |
| InChI | InChI=1S/C15H16N2O3S2/c18-13(19)6-2-1-3-8-17-14(20)12(22-15(17)21)9-11-5-4-7-16-10-11/h4-5,7,9-10H,1-3,6,8H2,(H,18,19)/p-1 |
| InChIK | TYBBOBJQIAPFRA-UHFFFAOYSA-M |
| TotalMolweight | 335.427 |
| Molweight | 335.427 |
| MonoisotopicMass | 335.052408 |
| CLogP | -0.7322 |
| CLogS | -3.198 |
| H Acceptors | 5 |
| TotalSurfaceArea | 255.56 |
| Relative PSA | 0.39275 |
| PolarSurfaceArea | 130.72 |
| Druglikeness | -3.9634 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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