2-[[(4Z)-4-[(4-nitrophenyl)hydrazinylidene]-5-oxooxolan-2-yl]methyl]isoindole-1,3-dione
Formula:C19H14N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[[(4Z)-4-[(4-nitrophenyl)hydrazinylidene]-5-oxooxolan-2-yl]methyl]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[[(4Z)-4-[(4-nitrophenyl)hydrazinylidene]-5-oxooxolan-2-yl]methyl]isoindole-1,3-dione |
| MolecularFormula | C19H14N4O6 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C(/CC(CN(C(c1c2cccc1)=O)C2=O)O1)\C1=O)=O |
| InChI | InChI=1S/C19H14N4O6/c24-17-14-3-1-2-4-15(14)18(25)22(17)10-13-9-16(19(26)29-13)21-20-11-5-7-12(8-6-11)23(27)28/h1-8,13,20H,9-10H2/t13-/m0/s1 |
| InChIK | HMWBKPPQSCRVPQ-ZDUSSCGKSA-N |
| TotalMolweight | 394.342 |
| Molweight | 394.342 |
| MonoisotopicMass | 394.091336 |
| CLogP | 2.3452 |
| CLogS | -3.613 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 277.69 |
| Relative PSA | 0.38194 |
| PolarSurfaceArea | 133.89 |
| Druglikeness | -0.87305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 7 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 2-[[(4Z)-4-[(4-nitrophenyl)hydrazinylidene]-5-oxooxolan-2-yl]methyl]isoindole-1,3-dione | 2 - 2-[[(4Z)-4-[(4-nitrophenyl)hydrazinylidene]-5-oxooxolan-2-yl]methyl]isoindole-1,3-dione
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