[4-[(Z)-[3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-iodobenzoate
Formula:C23H13NO3ClIS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-iodobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-iodobenzoate |
| MolecularFormula | C23H13NO3ClIS2 |
| Smiles | O=C(c(cccc1)c1I)Oc1ccc(/C=C(/C(N2c3cc(Cl)ccc3)=O)\SC2=S)cc1 |
| InChI | InChI=1S/C23H13ClINO3S2/c24-15-4-3-5-16(13-15)26-21(27)20(31-23(26)30)12-14-8-10-17(11-9-14)29-22(28)18-6-1-2-7-19(18)25/h1-13H |
| InChIK | WDPJEOMJLLGSDW-UHFFFAOYSA-N |
| TotalMolweight | 577.845 |
| Molweight | 577.845 |
| MonoisotopicMass | 576.907009 |
| CLogP | 5.3659 |
| CLogS | -8.205 |
| H Acceptors | 4 |
| TotalSurfaceArea | 351.69 |
| Relative PSA | 0.24203 |
| PolarSurfaceArea | 104 |
| Druglikeness | 3.2906 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-iodobenzoate | 2 - [4-[(Z)-[3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-iodobenzoate
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