2-[2-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenoxy]acetic acid
Formula:C17H12N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenoxy]acetic acid |
| MolecularFormula | C17H12N2O5 |
| Smiles | OC(COc1c(/C=N\N(C(c2c3cccc2)=O)C3=O)cccc1)=O |
| InChI | InChI=1S/C17H12N2O5/c20-15(21)10-24-14-8-4-1-5-11(14)9-18-19-16(22)12-6-2-3-7-13(12)17(19)23/h1-9H,10H2,(H,20,21) |
| InChIK | NHQDMVUEDHXIPG-UHFFFAOYSA-N |
| TotalMolweight | 324.291 |
| Molweight | 324.291 |
| MonoisotopicMass | 324.074623 |
| CLogP | 1.7117 |
| CLogS | -3.375 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 237.94 |
| Relative PSA | 0.32479 |
| PolarSurfaceArea | 96.27 |
| Druglikeness | 3.5961 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenoxy]acetic acid
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