4-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Formula:C24H19NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is a drug-like molecule.
| MolName | 4-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione |
| MolecularFormula | C24H19NO3 |
| Smiles | O=C(/C=C/c1cccc(N(C(C2C3C4C=CC2C4)=O)C3=O)c1)c1ccccc1 |
| InChI | InChI=1S/C24H19NO3/c26-20(16-6-2-1-3-7-16)12-9-15-5-4-8-19(13-15)25-23(27)21-17-10-11-18(14-17)22(21)24(25)28/h1-13,17-18,21-22H,14H2 |
| InChIK | RKZOLUFQUQJXJG-UHFFFAOYSA-N |
| TotalMolweight | 369.419 |
| Molweight | 369.419 |
| MonoisotopicMass | 369.136494 |
| CLogP | 3.2198 |
| CLogS | -5.38 |
| H Acceptors | 4 |
| TotalSurfaceArea | 272.83 |
| Relative PSA | 0.1564 |
| PolarSurfaceArea | 54.45 |
| Druglikeness | 3.4624 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon | unknown chirality |
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1 - 4-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione | 2 - 4-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
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