2-[2-[(Z)-[(5-chloro-2-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
Formula:C16H12N2O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[(5-chloro-2-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(5-chloro-2-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C16H12N2O5Cl |
| Smiles | [O-]C(COc1c(/C=N\NC(c(cc(cc2)Cl)c2O)=O)cccc1)=O |
| InChI | InChI=1S/C16H13ClN2O5/c17-11-5-6-13(20)12(7-11)16(23)19-18-8-10-3-1-2-4-14(10)24-9-15(21)22/h1-8,20H,9H2,(H,19,23)(H,21,22)/p-1 |
| InChIK | AGPCZHYRIFECBZ-UHFFFAOYSA-M |
| TotalMolweight | 347.733 |
| Molweight | 347.733 |
| MonoisotopicMass | 347.043475 |
| CLogP | 0.4459 |
| CLogS | -3.954 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 257.8 |
| Relative PSA | 0.33526 |
| PolarSurfaceArea | 111.05 |
| Druglikeness | 4.285 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[(5-chloro-2-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-[(5-chloro-2-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
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