[4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Formula:C23H16N3O2BrS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate |
| MolecularFormula | C23H16N3O2BrS |
| Smiles | O=C(c(cccc1)c1Br)Oc1ccc(/C=N\Nc2nc(-c3ccccc3)cs2)cc1 |
| InChI | InChI=1S/C23H16BrN3O2S/c24-20-9-5-4-8-19(20)22(28)29-18-12-10-16(11-13-18)14-25-27-23-26-21(15-30-23)17-6-2-1-3-7-17/h1-15H,(H,26,27) |
| InChIK | AEFOLHYRSQXJIW-UHFFFAOYSA-N |
| TotalMolweight | 478.369 |
| Molweight | 478.369 |
| MonoisotopicMass | 477.014658 |
| CLogP | 8.3721 |
| CLogS | -6.964 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 329.84 |
| Relative PSA | 0.23448 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | 1.8161 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| 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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1 - [4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate | 2 - [4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
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