[4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C26H20N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C26H20N2O4S |
| Smiles | O=C(c1cccs1)Oc1ccc(/C=N\NC(c(cc2)ccc2OCc2ccccc2)=O)cc1 |
| InChI | InChI=1S/C26H20N2O4S/c29-25(21-10-14-22(15-11-21)31-18-20-5-2-1-3-6-20)28-27-17-19-8-12-23(13-9-19)32-26(30)24-7-4-16-33-24/h1-17H,18H2,(H,28,29) |
| InChIK | HMMCIXHYTOLGSU-UHFFFAOYSA-N |
| TotalMolweight | 456.521 |
| Molweight | 456.521 |
| MonoisotopicMass | 456.114378 |
| CLogP | 5.8468 |
| CLogS | -6.542 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 353.96 |
| Relative PSA | 0.2526 |
| PolarSurfaceArea | 105.23 |
| Druglikeness | 5.7849 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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