(6Z,12Z)-6,12-diphenylbenzo[c][1,5]benzodiazocine-2,8-diol
Formula:C26H18N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z,12Z)-6,12-diphenylbenzo[c][1,5]benzodiazocine-2,8-diol is a drug-like molecule.
| MolName | (6Z,12Z)-6,12-diphenylbenzo[c][1,5]benzodiazocine-2,8-diol |
| MolecularFormula | C26H18N2O2 |
| Smiles | OC1=C/C2=C(\c3ccccc3)/N=C(/C=CC(O)=C3)\C3=C(\c3ccccc3)/N=C2/C=C1 |
| InChI | InChI=1S/C26H18N2O2/c29-19-11-13-23-21(15-19)25(17-7-3-1-4-8-17)27-24-14-12-20(30)16-22(24)26(28-23)18-9-5-2-6-10-18/h1-16,29-30H |
| InChIK | POGVQDLDZWXSED-UHFFFAOYSA-N |
| TotalMolweight | 390.441 |
| Molweight | 390.441 |
| MonoisotopicMass | 390.136828 |
| CLogP | 3.6346 |
| CLogS | -4.696 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 299.42 |
| Relative PSA | 0.16438 |
| PolarSurfaceArea | 65.18 |
| Druglikeness | 1.0574 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 17 |
| BasicNitrogens | 2 |
| StereoCon |
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