2-[(2Z)-3-(4-hydroxyphenyl)-2-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Formula:C18H14N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-3-(4-hydroxyphenyl)-2-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid is a drug-like molecule.
| MolName | 2-[(2Z)-3-(4-hydroxyphenyl)-2-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid |
| MolecularFormula | C18H14N4O6S |
| Smiles | [O-][N+](c1ccc(/C=N\N=C(\N2c(cc3)ccc3O)/SC(CC(O)=O)C2=O)cc1)=O |
| InChI | InChI=1S/C18H14N4O6S/c23-14-7-5-12(6-8-14)21-17(26)15(9-16(24)25)29-18(21)20-19-10-11-1-3-13(4-2-11)22(27)28/h1-8,10,15,23H,9H2,(H,24,25)/t15-/m0/s1 |
| InChIK | VKOHOWTVNACYHL-HNNXBMFYSA-N |
| TotalMolweight | 414.397 |
| Molweight | 414.397 |
| MonoisotopicMass | 414.063406 |
| CLogP | 2.8997 |
| CLogS | -5.099 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 293.17 |
| Relative PSA | 0.43238 |
| PolarSurfaceArea | 173.68 |
| Druglikeness | 1.0066 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-[(2Z)-3-(4-hydroxyphenyl)-2-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid | 2 - 2-[(2Z)-3-(4-hydroxyphenyl)-2-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
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