2-[2-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
Formula:C16H13N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C16H13N2O5 |
| Smiles | [O-]C(COc1c(/C=N\NC(c(cc2)ccc2O)=O)cccc1)=O |
| InChI | InChI=1S/C16H14N2O5/c19-13-7-5-11(6-8-13)16(22)18-17-9-12-3-1-2-4-14(12)23-10-15(20)21/h1-9,19H,10H2,(H,18,22)(H,20,21)/p-1 |
| InChIK | XSKARGLNLJQZKF-UHFFFAOYSA-M |
| TotalMolweight | 313.288 |
| Molweight | 313.288 |
| MonoisotopicMass | 313.082448 |
| CLogP | -0.1601 |
| CLogS | -3.218 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 242.38 |
| Relative PSA | 0.35659 |
| PolarSurfaceArea | 111.05 |
| Druglikeness | 4.2424 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
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