3-[(Z)-(4-bromophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C10H7N2OBrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(4-bromophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-(4-bromophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C10H7N2OBrS2 |
| Smiles | O=C(CSC1=S)N1/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C10H7BrN2OS2/c11-8-3-1-7(2-4-8)5-12-13-9(14)6-16-10(13)15/h1-5H,6H2 |
| InChIK | IMCWYSDUWNZQPG-UHFFFAOYSA-N |
| TotalMolweight | 315.215 |
| Molweight | 315.215 |
| MonoisotopicMass | 313.918314 |
| CLogP | 1.667 |
| CLogS | -4.099 |
| H Acceptors | 3 |
| TotalSurfaceArea | 195.16 |
| Relative PSA | 0.37708 |
| PolarSurfaceArea | 90.06 |
| Druglikeness | 1.9947 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 3-[(Z)-(4-bromophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - 3-[(Z)-(4-bromophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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