N'-[(Z)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-2,3-dihydroinden-1-ylidene]amino]oxamide
Formula:C19H14N4O4Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-2,3-dihydroinden-1-ylidene]amino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-2,3-dihydroinden-1-ylidene]amino]oxamide |
| MolecularFormula | C19H14N4O4Cl2 |
| Smiles | NC(C(N/N=C(/C(C1)C(c2cc(Cl)cc(Cl)c2N2)(C2=O)O)\c2c1cccc2)=O)=O |
| InChI | InChI=1S/C19H14Cl2N4O4/c20-9-6-12-15(13(21)7-9)23-18(28)19(12,29)11-5-8-3-1-2-4-10(8)14(11)24-25-17(27)16(22)26/h1-4,6-7,11,29H,5H2,(H2,22,26)(H,23,28)(H,25,27)/b24-14+ |
| InChIK | AMYBEIWLALUSRY-ZVHZXABRSA-N |
| TotalMolweight | 433.25 |
| Molweight | 433.25 |
| MonoisotopicMass | 432.03921 |
| CLogP | 1.354 |
| CLogS | -5.302 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 287.54 |
| Relative PSA | 0.35446 |
| PolarSurfaceArea | 133.88 |
| Druglikeness | 3.3163 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; limit! oxal-diamide |
| Shape Index | 0.41379 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N'-[(Z)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-2,3-dihydroinden-1-ylidene]amino]oxamide | 2 - N'-[(Z)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-2,3-dihydroinden-1-ylidene]amino]oxamide
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