(5Z)-3-(2-chlorophenyl)-5-[(5-nitro-2-phenylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C22H13N2O3ClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(2-chlorophenyl)-5-[(5-nitro-2-phenylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(2-chlorophenyl)-5-[(5-nitro-2-phenylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C22H13N2O3ClS3 |
| Smiles | [O-][N+](c(cc1)cc(/C=C(/C(N2c(cccc3)c3Cl)=O)\SC2=S)c1Sc1ccccc1)=O |
| InChI | InChI=1S/C22H13ClN2O3S3/c23-17-8-4-5-9-18(17)24-21(26)20(31-22(24)29)13-14-12-15(25(27)28)10-11-19(14)30-16-6-2-1-3-7-16/h1-13H |
| InChIK | HETWEABRSWPFPD-UHFFFAOYSA-N |
| TotalMolweight | 485.007 |
| Molweight | 485.007 |
| MonoisotopicMass | 483.97768 |
| CLogP | 4.3978 |
| CLogS | -7.965 |
| H Acceptors | 5 |
| TotalSurfaceArea | 338.82 |
| Relative PSA | 0.32463 |
| PolarSurfaceArea | 148.82 |
| Druglikeness | -2.2179 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-3-(2-chlorophenyl)-5-[(5-nitro-2-phenylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(2-chlorophenyl)-5-[(5-nitro-2-phenylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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