(1R,2S,6R,7S)-4-[(Z)-furan-2-ylmethylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Formula:C15H14N2O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(1R,2S,6R,7S)-4-[(Z)-furan-2-ylmethylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione is a drug-like molecule.
| MolName | (1R,2S,6R,7S)-4-[(Z)-furan-2-ylmethylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione |
| MolecularFormula | C15H14N2O3 |
| Smiles | O=C([C@H]1[C@H](CC2)C=C[C@H]2[C@H]1C1=O)N1/N=C\c1ccco1 |
| InChI | InChI=1S/C15H14N2O3/c18-14-12-9-3-4-10(6-5-9)13(12)15(19)17(14)16-8-11-2-1-7-20-11/h1-4,7-10,12-13H,5-6H2/t9-,10+,12-,13-/m1/s1 |
| InChIK | SARXGHBVLRRBLS-LYIQGSDWSA-N |
| TotalMolweight | 270.287 |
| Molweight | 270.287 |
| MonoisotopicMass | 270.100443 |
| CLogP | 1.2692 |
| CLogS | -3.22 |
| H Acceptors | 5 |
| TotalSurfaceArea | 197.03 |
| Relative PSA | 0.28041 |
| PolarSurfaceArea | 62.88 |
| Druglikeness | 3.6305 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| StereoCon | this enantiomer |
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1 - (1R,2S,6R,7S)-4-[(Z)-furan-2-ylmethylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione | 2 - (1R,2S,6R,7S)-4-[(Z)-furan-2-ylmethylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
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