(2Z,7Z)-14-oxo-5-phenyltricyclo[7.3.1.13,7]tetradeca-1(13),2,7,9,11-pentaene-5-carbonitrile
Formula:C21H15NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,7Z)-14-oxo-5-phenyltricyclo[7.3.1.13,7]tetradeca-1(13),2,7,9,11-pentaene-5-carbonitrile is a drug-like molecule.
| MolName | (2Z,7Z)-14-oxo-5-phenyltricyclo[7.3.1.13,7]tetradeca-1(13),2,7,9,11-pentaene-5-carbonitrile |
| MolecularFormula | C21H15NO |
| Smiles | N#CC(C/C(/C1=O)=C2)(C/C1=C/c1cc2ccc1)c1ccccc1 |
| InChI | InChI=1S/C21H15NO/c22-14-21(19-7-2-1-3-8-19)12-17-10-15-5-4-6-16(9-15)11-18(13-21)20(17)23/h1-11H,12-13H2 |
| InChIK | KHVNKKWMPDTOPH-UHFFFAOYSA-N |
| TotalMolweight | 297.356 |
| Molweight | 297.356 |
| MonoisotopicMass | 297.115364 |
| CLogP | 3.9404 |
| CLogS | -5.174 |
| H Acceptors | 2 |
| TotalSurfaceArea | 232.83 |
| Relative PSA | 0.11425 |
| PolarSurfaceArea | 40.86 |
| Druglikeness | -3.0703 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - (2Z,7Z)-14-oxo-5-phenyltricyclo[7.3.1.13,7]tetradeca-1(13),2,7,9,11-pentaene-5-carbonitrile | 2 - (2Z,7Z)-14-oxo-5-phenyltricyclo[7.3.1.13,7]tetradeca-1(13),2,7,9,11-pentaene-5-carbonitrile
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