2-[(2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
Formula:C16H13N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid is a drug-like molecule.
| MolName | 2-[(2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid |
| MolecularFormula | C16H13N3O4S |
| Smiles | OC(CC(C(N1c2ccccc2)=O)S/C1=N/N=C\c1ccco1)=O |
| InChI | InChI=1S/C16H13N3O4S/c20-14(21)9-13-15(22)19(11-5-2-1-3-6-11)16(24-13)18-17-10-12-7-4-8-23-12/h1-8,10,13H,9H2,(H,20,21)/t13-/m0/s1 |
| InChIK | IYIYQTSVISWHQU-ZDUSSCGKSA-N |
| TotalMolweight | 343.362 |
| Molweight | 343.362 |
| MonoisotopicMass | 343.062677 |
| CLogP | 3.3557 |
| CLogS | -4.617 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 252.84 |
| Relative PSA | 0.38503 |
| PolarSurfaceArea | 120.77 |
| Druglikeness | 6.1702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 2-[(2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid | 2 - 2-[(2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
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