2-[(3Z)-3-[3-(2-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetic acid
Formula:C19H11N2O4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3Z)-3-[3-(2-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetic acid is a drug-like molecule.
| MolName | 2-[(3Z)-3-[3-(2-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetic acid |
| MolecularFormula | C19H11N2O4ClS2 |
| Smiles | OC(CN(c(cccc1)c1/C1=C(\C(N2c(cccc3)c3Cl)=O)/SC2=S)C1=O)=O |
| InChI | InChI=1S/C19H11ClN2O4S2/c20-11-6-2-4-8-13(11)22-18(26)16(28-19(22)27)15-10-5-1-3-7-12(10)21(17(15)25)9-14(23)24/h1-8H,9H2,(H,23,24) |
| InChIK | MOUUWQZNRGZUQD-UHFFFAOYSA-N |
| TotalMolweight | 430.891 |
| Molweight | 430.891 |
| MonoisotopicMass | 429.984875 |
| CLogP | 1.3857 |
| CLogS | -5.087 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 288.52 |
| Relative PSA | 0.36327 |
| PolarSurfaceArea | 135.31 |
| Druglikeness | -1.1494 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(3Z)-3-[3-(2-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetic acid | 2 - 2-[(3Z)-3-[3-(2-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetic acid
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