[3-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C26H20N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [3-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C26H20N2O4S |
| Smiles | OC(C(N/N=C\c1cccc(OC(c2cccs2)=O)c1)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C26H20N2O4S/c29-24(23-15-8-16-33-23)32-22-14-7-9-19(17-22)18-27-28-25(30)26(31,20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-18,31H,(H,28,30) |
| InChIK | FLJUKXGPDIQUJV-UHFFFAOYSA-N |
| TotalMolweight | 456.521 |
| Molweight | 456.521 |
| MonoisotopicMass | 456.114378 |
| CLogP | 4.779 |
| CLogS | -5.907 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 346.96 |
| Relative PSA | 0.26663 |
| PolarSurfaceArea | 116.23 |
| Druglikeness | 6.9932 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - [3-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate | 2 - [3-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
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