2-[2-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C23H19N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C23H19N3O5S |
| Smiles | OC(COc1c(/C=N\NC(/C(/NC(c2ccccc2)=O)=C\c2cccs2)=O)cccc1)=O |
| InChI | InChI=1S/C23H19N3O5S/c27-21(28)15-31-20-11-5-4-9-17(20)14-24-26-23(30)19(13-18-10-6-12-32-18)25-22(29)16-7-2-1-3-8-16/h1-14H,15H2,(H,25,29)(H,26,30)(H,27,28) |
| InChIK | OPXZPCSNNSGXFL-UHFFFAOYSA-N |
| TotalMolweight | 449.486 |
| Molweight | 449.486 |
| MonoisotopicMass | 449.104542 |
| CLogP | 3.7449 |
| CLogS | -5.269 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 344.47 |
| Relative PSA | 0.33968 |
| PolarSurfaceArea | 145.33 |
| Druglikeness | 7.5635 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenoxy]acetic acid
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