2-[4-[(Z)-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C18H17N2O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C18H17N2O4ClS |
| Smiles | OC(COc1ccc(/C=N\NC(CSCc(cccc2)c2Cl)=O)cc1)=O |
| InChI | InChI=1S/C18H17ClN2O4S/c19-16-4-2-1-3-14(16)11-26-12-17(22)21-20-9-13-5-7-15(8-6-13)25-10-18(23)24/h1-9H,10-12H2,(H,21,22)(H,23,24) |
| InChIK | GEHQMTKZIAZZGV-UHFFFAOYSA-N |
| TotalMolweight | 392.862 |
| Molweight | 392.862 |
| MonoisotopicMass | 392.059755 |
| CLogP | 3.0572 |
| CLogS | -5.036 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 295.28 |
| Relative PSA | 0.30358 |
| PolarSurfaceArea | 113.29 |
| Druglikeness | 4.6549 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
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