(1R,2S,6R,7S)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Formula:C19H18N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(1R,2S,6R,7S)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-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)-[(E)-3-phenylprop-2-enylidene]amino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione |
| MolecularFormula | C19H18N2O2 |
| Smiles | O=C([C@H]1[C@H](CC2)C=C[C@H]2[C@H]1C1=O)N1/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C19H18N2O2/c22-18-16-14-8-9-15(11-10-14)17(16)19(23)21(18)20-12-4-7-13-5-2-1-3-6-13/h1-9,12,14-17H,10-11H2/t14-,15+,16-,17-/m1/s1 |
| InChIK | AXLRTSCFEIFQHV-YYIAUSFCSA-N |
| TotalMolweight | 306.364 |
| Molweight | 306.364 |
| MonoisotopicMass | 306.136828 |
| CLogP | 2.0988 |
| CLogS | -3.83 |
| H Acceptors | 4 |
| TotalSurfaceArea | 233.84 |
| Relative PSA | 0.17593 |
| PolarSurfaceArea | 49.74 |
| Druglikeness | 3.8373 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1R,2S,6R,7S)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione | 2 - (1R,2S,6R,7S)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
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