[2-[(Z)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C23H15N3O2BrClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[2-[(Z)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [2-[(Z)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C23H15N3O2BrClS |
| Smiles | O=C(c(cc1)ccc1Cl)Oc1c(/C=N\Nc2nc(-c(cc3)ccc3Br)cs2)cccc1 |
| InChI | InChI=1S/C23H15BrClN3O2S/c24-18-9-5-15(6-10-18)20-14-31-23(27-20)28-26-13-17-3-1-2-4-21(17)30-22(29)16-7-11-19(25)12-8-16/h1-14H,(H,27,28) |
| InChIK | ZETKZGNEEFQKGN-UHFFFAOYSA-N |
| TotalMolweight | 512.814 |
| Molweight | 512.814 |
| MonoisotopicMass | 510.975685 |
| CLogP | 8.9781 |
| CLogS | -7.7 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 345.26 |
| Relative PSA | 0.22401 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | 1.8713 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| 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 - [2-[(Z)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [2-[(Z)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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