4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzonitrile
Formula:C17H11N4ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzonitrile is not a drug-like molecule.
| MolName | 4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzonitrile |
| MolecularFormula | C17H11N4ClS |
| Smiles | N#Cc1ccc(/C=N\Nc2nc(-c(cc3)ccc3Cl)cs2)cc1 |
| InChI | InChI=1S/C17H11ClN4S/c18-15-7-5-14(6-8-15)16-11-23-17(21-16)22-20-10-13-3-1-12(9-19)2-4-13/h1-8,10-11H,(H,21,22) |
| InChIK | LXCKGVIFQVSXJX-UHFFFAOYSA-N |
| TotalMolweight | 338.821 |
| Molweight | 338.821 |
| MonoisotopicMass | 338.039293 |
| CLogP | 6.658 |
| CLogS | -6.169 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 260.83 |
| Relative PSA | 0.26017 |
| PolarSurfaceArea | 89.31 |
| Druglikeness | -0.27391 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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