| MolName | (6Z,12Z)-6,12-diphenylbenzo[c][1,5]benzodiazocine |
| MolecularFormula | C26H18N2 |
| Smiles | c(cc1)ccc1/C1=C(\C=CC=C2)/C2=N\C(\c2ccccc2)=C(\C=CC=C2)/C2=N1 |
| InChI | InChI=1S/C26H18N2/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)28-26(20-13-5-2-6-14-20)22-16-8-10-18-24(22)27-25/h1-18H |
| InChIK | UQIGJMYREVNYFW-UHFFFAOYSA-N |
| TotalMolweight | 358.443 |
| Molweight | 358.443 |
| MonoisotopicMass | 358.146998 |
| CLogP | 4.6342 |
| CLogS | -4.834 |
| H Acceptors | 2 |
| TotalSurfaceArea | 290.3 |
| Relative PSA | 0.079297 |
| PolarSurfaceArea | 24.72 |
| Druglikeness | 0.9875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 16 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - (6Z,12Z)-6,12-diphenylbenzo[c][1,5]benzodiazocine | 2 - (6Z,12Z)-6,12-diphenylbenzo[c][1,5]benzodiazocine