(4E,12E)-4,12-dibenzylidene-8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene
Formula:C31H25N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E,12E)-4,12-dibenzylidene-8-phenyl-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-8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene |
| MolecularFormula | C31H25N |
| Smiles | C(Cc1c2nc(/C(/CC3)=C/c4ccccc4)c3c1-c1ccccc1)/C2=C\c1ccccc1 |
| InChI | InChI=1S/C31H25N/c1-4-10-22(11-5-1)20-25-16-18-27-29(24-14-8-3-9-15-24)28-19-17-26(31(28)32-30(25)27)21-23-12-6-2-7-13-23/h1-15,20-21H,16-19H2 |
| InChIK | YPPVZSOXITUTQJ-UHFFFAOYSA-N |
| TotalMolweight | 411.547 |
| Molweight | 411.547 |
| MonoisotopicMass | 411.198699 |
| CLogP | 7.0491 |
| CLogS | -7.323 |
| H Acceptors | 1 |
| TotalSurfaceArea | 328.76 |
| Relative PSA | 0.033368 |
| PolarSurfaceArea | 12.89 |
| Druglikeness | -1.3723 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 16 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (4E,12E)-4,12-dibenzylidene-8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene | 2 - (4E,12E)-4,12-dibenzylidene-8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene
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