[4-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C20H16N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C20H16N2O4S |
| Smiles | O[C@H](C(N/N=C\c(cc1)ccc1OC(c1cccs1)=O)=O)c1ccccc1 |
| InChI | InChI=1S/C20H16N2O4S/c23-18(15-5-2-1-3-6-15)19(24)22-21-13-14-8-10-16(11-9-14)26-20(25)17-7-4-12-27-17/h1-13,18,23H,(H,22,24)/t18-/m0/s1 |
| InChIK | YRPXBRUKLDUBQM-SFHVURJKSA-N |
| TotalMolweight | 380.423 |
| Molweight | 380.423 |
| MonoisotopicMass | 380.083078 |
| CLogP | 3.4267 |
| CLogS | -4.618 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 289.29 |
| Relative PSA | 0.31978 |
| PolarSurfaceArea | 116.23 |
| Druglikeness | 6.7699 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
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1 - [4-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate | 2 - [4-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
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