3-[(Z)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
Formula:C22H17N3OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is not a drug-like molecule.
| MolName | 3-[(Z)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol |
| MolecularFormula | C22H17N3OS |
| Smiles | Oc1cccc(/C=N\Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 |
| InChI | InChI=1S/C22H17N3OS/c26-19-13-7-8-16(14-19)15-23-25-22-24-20(17-9-3-1-4-10-17)21(27-22)18-11-5-2-6-12-18/h1-15,26H,(H,24,25) |
| InChIK | ZKXRQTQCFCBADS-UHFFFAOYSA-N |
| TotalMolweight | 371.463 |
| Molweight | 371.463 |
| MonoisotopicMass | 371.109232 |
| CLogP | 7.769 |
| CLogS | -6.471 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 289.81 |
| Relative PSA | 0.23257 |
| PolarSurfaceArea | 85.75 |
| Druglikeness | 3.7957 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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