(2Z)-2-(3-oxoisoindol-1-ylidene)acetate
Formula:C10H6NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(3-oxoisoindol-1-ylidene)acetate is a drug-like molecule.
| MolName | (2Z)-2-(3-oxoisoindol-1-ylidene)acetate |
| MolecularFormula | C10H6NO3 |
| Smiles | [O-]C(/C=C(/c1c2cccc1)\NC2=O)=O |
| InChI | InChI=1S/C10H7NO3/c12-9(13)5-8-6-3-1-2-4-7(6)10(14)11-8/h1-5H,(H,11,14)(H,12,13)/p-1 |
| InChIK | ARKVNXFSFQIASB-UHFFFAOYSA-M |
| TotalMolweight | 188.162 |
| Molweight | 188.162 |
| MonoisotopicMass | 188.034769 |
| CLogP | -1.3017 |
| CLogS | -1.89 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 138.96 |
| Relative PSA | 0.37291 |
| PolarSurfaceArea | 69.23 |
| Druglikeness | 2.2864 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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