(4E,12E)-4,12-dibenzylidene-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene
Formula:C25H21N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E,12E)-4,12-dibenzylidene-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene is not a drug-like molecule.
| MolName | (4E,12E)-4,12-dibenzylidene-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene |
| MolecularFormula | C25H21N |
| Smiles | C(Cc1c2nc(/C(/CC3)=C/c4ccccc4)c3c1)/C2=C\c1ccccc1 |
| InChI | InChI=1S/C25H21N/c1-3-7-18(8-4-1)15-20-11-13-22-17-23-14-12-21(25(23)26-24(20)22)16-19-9-5-2-6-10-19/h1-10,15-17H,11-14H2 |
| InChIK | XYGJLQRINNJINZ-UHFFFAOYSA-N |
| TotalMolweight | 335.449 |
| Molweight | 335.449 |
| MonoisotopicMass | 335.167399 |
| CLogP | 5.3899 |
| CLogS | -5.237 |
| H Acceptors | 1 |
| TotalSurfaceArea | 269 |
| Relative PSA | 0.040781 |
| PolarSurfaceArea | 12.89 |
| Druglikeness | -1.3723 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 14 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (4E,12E)-4,12-dibenzylidene-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene | 2 - (4E,12E)-4,12-dibenzylidene-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene
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