[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate
Formula:C17H10NO3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate is a drug-like molecule.
| MolName | [4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C17H10NO3ClS2 |
| Smiles | O=C(c(cc1)ccc1Cl)Oc1ccc(/C=C(\C(N2)=O)/SC2=S)cc1 |
| InChI | InChI=1S/C17H10ClNO3S2/c18-12-5-3-11(4-6-12)16(21)22-13-7-1-10(2-8-13)9-14-15(20)19-17(23)24-14/h1-9H,(H,19,20,23) |
| InChIK | HCCXIFGPEYFABP-UHFFFAOYSA-N |
| TotalMolweight | 375.855 |
| Molweight | 375.855 |
| MonoisotopicMass | 374.979061 |
| CLogP | 3.1807 |
| CLogS | -5.706 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 266.81 |
| Relative PSA | 0.34868 |
| PolarSurfaceArea | 112.79 |
| Druglikeness | 2.4072 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate | 2 - [4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate
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