2-[(Z)-(3-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
Formula:C15H10N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(3-hydroxyphenyl)methylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-(3-hydroxyphenyl)methylideneamino]isoindole-1,3-dione |
| MolecularFormula | C15H10N2O3 |
| Smiles | Oc1cccc(/C=N\N(C(c2c3cccc2)=O)C3=O)c1 |
| InChI | InChI=1S/C15H10N2O3/c18-11-5-3-4-10(8-11)9-16-17-14(19)12-6-1-2-7-13(12)15(17)20/h1-9,18H |
| InChIK | HTEJVPORKQZWSC-UHFFFAOYSA-N |
| TotalMolweight | 266.255 |
| Molweight | 266.255 |
| MonoisotopicMass | 266.069143 |
| CLogP | 2.306 |
| CLogS | -3.286 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 196.43 |
| Relative PSA | 0.27613 |
| PolarSurfaceArea | 69.97 |
| Druglikeness | 3.7946 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 2-[(Z)-(3-hydroxyphenyl)methylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-(3-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
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