2-[(Z)-benzylideneamino]-3H-isoindol-1-one
Formula:C15H12N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-benzylideneamino]-3H-isoindol-1-one is a drug-like molecule.
| MolName | 2-[(Z)-benzylideneamino]-3H-isoindol-1-one |
| MolecularFormula | C15H12N2O |
| Smiles | O=C(c1c(C2)cccc1)N2/N=C\c1ccccc1 |
| InChI | InChI=1S/C15H12N2O/c18-15-14-9-5-4-8-13(14)11-17(15)16-10-12-6-2-1-3-7-12/h1-10H,11H2 |
| InChIK | KHKPTTXPJZBPAW-UHFFFAOYSA-N |
| TotalMolweight | 236.273 |
| Molweight | 236.273 |
| MonoisotopicMass | 236.094963 |
| CLogP | 2.4813 |
| CLogS | -3.453 |
| H Acceptors | 3 |
| TotalSurfaceArea | 186.09 |
| Relative PSA | 0.151 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 4.6677 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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