(1R,2R,6S,7S)-4-[(Z)-anthracen-9-ylmethylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
Formula:C26H20N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(1R,2R,6S,7S)-4-[(Z)-anthracen-9-ylmethylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione is a drug-like molecule.
| MolName | (1R,2R,6S,7S)-4-[(Z)-anthracen-9-ylmethylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione |
| MolecularFormula | C26H20N2O2 |
| Smiles | O=C([C@H]([C@@H]1C2=O)[C@@H]3C=C[C@H]1C31CC1)N2N=Cc1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C26H20N2O2/c29-24-22-20-9-10-21(26(20)11-12-26)23(22)25(30)28(24)27-14-19-17-7-3-1-5-15(17)13-16-6-2-4-8-18(16)19/h1-10,13-14,20-23H,11-12H2/t20-,21+,22-,23-/m1/s1 |
| InChIK | UOKCDASHUYPJRZ-KAOXLYBCSA-N |
| TotalMolweight | 392.457 |
| Molweight | 392.457 |
| MonoisotopicMass | 392.152478 |
| CLogP | 4.4349 |
| CLogS | -6.903 |
| H Acceptors | 4 |
| TotalSurfaceArea | 273.45 |
| Relative PSA | 0.15045 |
| PolarSurfaceArea | 49.74 |
| Druglikeness | 5.0691 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 7 |
| Small Rings | 8 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1R,2R,6S,7S)-4-[(Z)-anthracen-9-ylmethylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione | 2 - (1R,2R,6S,7S)-4-[(Z)-anthracen-9-ylmethylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
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