[3-[(Z)-[3-(3,4-dichlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-iodobenzoate
Formula:C23H12NO3Cl2IS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[3-(3,4-dichlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-iodobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[3-(3,4-dichlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-iodobenzoate |
| MolecularFormula | C23H12NO3Cl2IS2 |
| Smiles | O=C(c(cccc1)c1I)Oc1cc(/C=C(/C(N2c(cc3)cc(Cl)c3Cl)=O)\SC2=S)ccc1 |
| InChI | InChI=1S/C23H12Cl2INO3S2/c24-17-9-8-14(12-18(17)25)27-21(28)20(32-23(27)31)11-13-4-3-5-15(10-13)30-22(29)16-6-1-2-7-19(16)26/h1-12H |
| InChIK | PQMFLIBDJFPVLD-UHFFFAOYSA-N |
| TotalMolweight | 612.29 |
| Molweight | 612.29 |
| MonoisotopicMass | 610.868036 |
| CLogP | 5.9719 |
| CLogS | -8.941 |
| H Acceptors | 4 |
| TotalSurfaceArea | 367.11 |
| Relative PSA | 0.23187 |
| PolarSurfaceArea | 104 |
| Druglikeness | 3.2906 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[3-(3,4-dichlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-iodobenzoate | 2 - [3-[(Z)-[3-(3,4-dichlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-iodobenzoate
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