2-[4-[(Z)-[(Z)-[4-(carboxymethoxy)phenyl]methylidenehydrazinylidene]methyl]phenoxy]acetic acid
Formula:C18H16N2O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[(Z)-[4-(carboxymethoxy)phenyl]methylidenehydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-[(Z)-[4-(carboxymethoxy)phenyl]methylidenehydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C18H16N2O6 |
| Smiles | OC(COc1ccc(/C=N\N=C/c(cc2)ccc2OCC(O)=O)cc1)=O |
| InChI | InChI=1S/C18H16N2O6/c21-17(22)11-25-15-5-1-13(2-6-15)9-19-20-10-14-3-7-16(8-4-14)26-12-18(23)24/h1-10H,11-12H2,(H,21,22)(H,23,24) |
| InChIK | VCCWVRJZFOTRHV-UHFFFAOYSA-N |
| TotalMolweight | 356.333 |
| Molweight | 356.333 |
| MonoisotopicMass | 356.100838 |
| CLogP | 2.9056 |
| CLogS | -3.718 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 278.26 |
| Relative PSA | 0.34249 |
| PolarSurfaceArea | 117.78 |
| Druglikeness | 1.395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.76923 |
| 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 | 15 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-[4-[(Z)-[(Z)-[4-(carboxymethoxy)phenyl]methylidenehydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-[(Z)-[4-(carboxymethoxy)phenyl]methylidenehydrazinylidene]methyl]phenoxy]acetic acid
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