2-[2-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenoxy]acetate
Formula:C15H13N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C15H13N2O4S |
| Smiles | [O-]C(COc1c(/C=N\NC(Cc2cccs2)=O)cccc1)=O |
| InChI | InChI=1S/C15H14N2O4S/c18-14(8-12-5-3-7-22-12)17-16-9-11-4-1-2-6-13(11)21-10-15(19)20/h1-7,9H,8,10H2,(H,17,18)(H,19,20)/p-1 |
| InChIK | XOBVHIHYRVGDJY-UHFFFAOYSA-M |
| TotalMolweight | 317.344 |
| Molweight | 317.344 |
| MonoisotopicMass | 317.059603 |
| CLogP | 0.0503 |
| CLogS | -3.489 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 245.73 |
| Relative PSA | 0.38127 |
| PolarSurfaceArea | 119.06 |
| Druglikeness | 6.1561 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenoxy]acetate
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