2-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzaldehyde
Formula:C17H13N3OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzaldehyde is not a drug-like molecule.
| MolName | 2-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzaldehyde |
| MolecularFormula | C17H13N3OS |
| Smiles | O=Cc1c(/C=N\Nc2nc(-c3ccccc3)cs2)cccc1 |
| InChI | InChI=1S/C17H13N3OS/c21-11-15-9-5-4-8-14(15)10-18-20-17-19-16(12-22-17)13-6-2-1-3-7-13/h1-12H,(H,19,20) |
| InChIK | IGARVLMWRSOJOY-UHFFFAOYSA-N |
| TotalMolweight | 307.376 |
| Molweight | 307.376 |
| MonoisotopicMass | 307.077932 |
| CLogP | 6.1497 |
| CLogS | -4.984 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 243.24 |
| Relative PSA | 0.27685 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 1.7459 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzaldehyde | 2 - 2-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzaldehyde
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