[4-[(Z)-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
Formula:C23H15N3O2ClFS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate |
| MolecularFormula | C23H15N3O2ClFS |
| Smiles | O=C(c1cccc(Cl)c1)Oc1ccc(/C=N\Nc2nc(-c(cc3)ccc3F)cs2)cc1 |
| InChI | InChI=1S/C23H15ClFN3O2S/c24-18-3-1-2-17(12-18)22(29)30-20-10-4-15(5-11-20)13-26-28-23-27-21(14-31-23)16-6-8-19(25)9-7-16/h1-14H,(H,27,28) |
| InChIK | AJAXDGRHULDBOT-UHFFFAOYSA-N |
| TotalMolweight | 451.908 |
| Molweight | 451.908 |
| MonoisotopicMass | 451.055752 |
| CLogP | 8.3537 |
| CLogS | -7.18 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 332.98 |
| Relative PSA | 0.23227 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | 2.3213 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-(4-fluorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate | 2 - [4-[(Z)-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
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