(4E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[(4-hydroxyphenyl)hydrazinylidene]-5-methylidenepyrazolidin-3-one
Formula:C19H14N5O2ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(4E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[(4-hydroxyphenyl)hydrazinylidene]-5-methylidenepyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[(4-hydroxyphenyl)hydrazinylidene]-5-methylidenepyrazolidin-3-one |
| MolecularFormula | C19H14N5O2ClS |
| Smiles | C=C(/C(/C1=O)=N\Nc(cc2)ccc2O)NN1c1nc(-c(cc2)ccc2Cl)cs1 |
| InChI | InChI=1S/C19H14ClN5O2S/c1-11-17(23-22-14-6-8-15(26)9-7-14)18(27)25(24-11)19-21-16(10-28-19)12-2-4-13(20)5-3-12/h2-10,22,24,26H,1H2 |
| InChIK | XRIQUNWWCFSUHM-UHFFFAOYSA-N |
| TotalMolweight | 411.872 |
| Molweight | 411.872 |
| MonoisotopicMass | 411.055672 |
| CLogP | 4.8179 |
| CLogS | -4.973 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 292.44 |
| Relative PSA | 0.32639 |
| PolarSurfaceArea | 118.09 |
| Druglikeness | 2.948 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (4E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[(4-hydroxyphenyl)hydrazinylidene]-5-methylidenepyrazolidin-3-one | 2 - (4E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[(4-hydroxyphenyl)hydrazinylidene]-5-methylidenepyrazolidin-3-one
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