4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]benzoate
Formula:C16H9N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]benzoate is a drug-like molecule.
| MolName | 4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]benzoate |
| MolecularFormula | C16H9N2O4 |
| Smiles | [O-]C(c1ccc(/C=N\N(C(c2c3cccc2)=O)C3=O)cc1)=O |
| InChI | InChI=1S/C16H10N2O4/c19-14-12-3-1-2-4-13(12)15(20)18(14)17-9-10-5-7-11(8-6-10)16(21)22/h1-9H,(H,21,22)/p-1 |
| InChIK | OEEWYAKOMNOIGJ-UHFFFAOYSA-M |
| TotalMolweight | 293.257 |
| Molweight | 293.257 |
| MonoisotopicMass | 293.056233 |
| CLogP | 0.0608 |
| CLogS | -3.595 |
| H Acceptors | 6 |
| TotalSurfaceArea | 215.36 |
| Relative PSA | 0.31789 |
| PolarSurfaceArea | 89.87 |
| Druglikeness | 3.817 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]benzoate | 2 - 4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]benzoate
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