4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
Formula:C17H12N4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile is not a drug-like molecule.
| MolName | 4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile |
| MolecularFormula | C17H12N4S |
| Smiles | N#Cc1ccc(/C=N\Nc2nc(-c3ccccc3)cs2)cc1 |
| InChI | InChI=1S/C17H12N4S/c18-10-13-6-8-14(9-7-13)11-19-21-17-20-16(12-22-17)15-4-2-1-3-5-15/h1-9,11-12H,(H,20,21) |
| InChIK | NBQGVGGKYPVVBB-UHFFFAOYSA-N |
| TotalMolweight | 304.376 |
| Molweight | 304.376 |
| MonoisotopicMass | 304.078266 |
| CLogP | 6.052 |
| CLogS | -5.433 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 245.41 |
| Relative PSA | 0.27652 |
| PolarSurfaceArea | 89.31 |
| Druglikeness | -0.28195 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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