| MolName | 3-[(Z)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol |
| MolecularFormula | C16H11N3OCl2S |
| Smiles | Oc1cccc(/C=N\Nc2nc(-c(ccc(Cl)c3)c3Cl)cs2)c1 |
| InChI | InChI=1S/C16H11Cl2N3OS/c17-11-4-5-13(14(18)7-11)15-9-23-16(20-15)21-19-8-10-2-1-3-12(22)6-10/h1-9,22H,(H,20,21) |
| InChIK | LKSQFVCCDKNGGO-UHFFFAOYSA-N |
| TotalMolweight | 364.255 |
| Molweight | 364.255 |
| MonoisotopicMass | 362.999986 |
| CLogP | 7.0827 |
| CLogS | -5.836 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 260.89 |
| Relative PSA | 0.25835 |
| PolarSurfaceArea | 85.75 |
| Druglikeness | 3.8981 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-[(Z)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol | 2 - 3-[(Z)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol