[4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
Formula:C28H20N3O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate |
| MolecularFormula | C28H20N3O4FS |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)N/N=C\c(cc1)ccc1OC(c1cc(F)ccc1)=O |
| InChI | InChI=1S/C28H20FN3O4S/c29-22-9-4-8-21(16-22)28(35)36-23-13-11-19(12-14-23)18-30-32-27(34)25(17-24-10-5-15-37-24)31-26(33)20-6-2-1-3-7-20/h1-18H,(H,31,33)(H,32,34) |
| InChIK | FSSHPONWLIYYDE-UHFFFAOYSA-N |
| TotalMolweight | 513.548 |
| Molweight | 513.548 |
| MonoisotopicMass | 513.115855 |
| CLogP | 6.2162 |
| CLogS | -7.26 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 390.47 |
| Relative PSA | 0.26612 |
| PolarSurfaceArea | 125.1 |
| Druglikeness | 6.0422 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56757 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate | 2 - [4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
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