2-[(5Z)-4-oxo-5-(quinolin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Formula:C15H10N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5Z)-4-oxo-5-(quinolin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.
| MolName | 2-[(5Z)-4-oxo-5-(quinolin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid |
| MolecularFormula | C15H10N2O3S2 |
| Smiles | OC(CN(C(/C(/S1)=C/c2nc3ccccc3cc2)=O)C1=S)=O |
| InChI | InChI=1S/C15H10N2O3S2/c18-13(19)8-17-14(20)12(22-15(17)21)7-10-6-5-9-3-1-2-4-11(9)16-10/h1-7H,8H2,(H,18,19) |
| InChIK | PLONLYDWXJIJTK-UHFFFAOYSA-N |
| TotalMolweight | 330.387 |
| Molweight | 330.387 |
| MonoisotopicMass | 330.013283 |
| CLogP | 0.8971 |
| CLogS | -3.643 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 233.94 |
| Relative PSA | 0.424 |
| PolarSurfaceArea | 127.89 |
| Druglikeness | -1.7362 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(5Z)-4-oxo-5-(quinolin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid | 2 - 2-[(5Z)-4-oxo-5-(quinolin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
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