4-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]benzoate
Formula:C14H11N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 4-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]benzoate |
| MolecularFormula | C14H11N2O3S |
| Smiles | [O-]C(c1ccc(/C=N\NC(Cc2cccs2)=O)cc1)=O |
| InChI | InChI=1S/C14H12N2O3S/c17-13(8-12-2-1-7-20-12)16-15-9-10-3-5-11(6-4-10)14(18)19/h1-7,9H,8H2,(H,16,17)(H,18,19)/p-1 |
| InChIK | WHCBFNQWDPPSSQ-UHFFFAOYSA-M |
| TotalMolweight | 287.318 |
| Molweight | 287.318 |
| MonoisotopicMass | 287.049038 |
| CLogP | 0.4754 |
| CLogS | -3.709 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 221.97 |
| Relative PSA | 0.37703 |
| PolarSurfaceArea | 109.83 |
| Druglikeness | 6.2076 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]benzoate | 2 - 4-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]benzoate
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