3-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C14H9N3O4S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C14H9N3O4S2 |
| Smiles | [O-][N+](c1cccc(-c2ccc(/C=N\N(C(CS3)=O)C3=S)o2)c1)=O |
| InChI | InChI=1S/C14H9N3O4S2/c18-13-8-23-14(22)16(13)15-7-11-4-5-12(21-11)9-2-1-3-10(6-9)17(19)20/h1-7H,8H2 |
| InChIK | AVMHRJCMWJVEQC-UHFFFAOYSA-N |
| TotalMolweight | 347.374 |
| Molweight | 347.374 |
| MonoisotopicMass | 347.003447 |
| CLogP | 0.9591 |
| CLogS | -5.185 |
| H Acceptors | 7 |
| TotalSurfaceArea | 249.65 |
| Relative PSA | 0.47314 |
| PolarSurfaceArea | 149.02 |
| Druglikeness | 1.2875 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - 3-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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