2-[(2Z)-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Formula:C18H15N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid is a drug-like molecule.
| MolName | 2-[(2Z)-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid |
| MolecularFormula | C18H15N3O4S |
| Smiles | OC(CC(C(N1c(cc2)ccc2O)=O)S/C1=N\N=C/c1ccccc1)=O |
| InChI | InChI=1S/C18H15N3O4S/c22-14-8-6-13(7-9-14)21-17(25)15(10-16(23)24)26-18(21)20-19-11-12-4-2-1-3-5-12/h1-9,11,15,22H,10H2,(H,23,24)/t15-/m0/s1 |
| InChIK | ZFXSHIOAVVLRMG-HNNXBMFYSA-N |
| TotalMolweight | 369.4 |
| Molweight | 369.4 |
| MonoisotopicMass | 369.078327 |
| CLogP | 3.8213 |
| CLogS | -4.639 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 269.5 |
| Relative PSA | 0.35748 |
| PolarSurfaceArea | 127.86 |
| Druglikeness | 6.0297 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-[(2Z)-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid | 2 - 2-[(2Z)-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
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