3,8-bis[(E)-2-phenylethenyl]-3,8-diazatricyclo[5.3.1.12,6]dodeca-4,9-diene-11,12-dione
Formula:C26H22N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,8-bis[(E)-2-phenylethenyl]-3,8-diazatricyclo[5.3.1.12,6]dodeca-4,9-diene-11,12-dione is a drug-like molecule.
| MolName | 3,8-bis[(E)-2-phenylethenyl]-3,8-diazatricyclo[5.3.1.12,6]dodeca-4,9-diene-11,12-dione |
| MolecularFormula | C26H22N2O2 |
| Smiles | O=C1C2N(/C=C/c3ccccc3)C=CC1C1N(/C=C/c3ccccc3)C=CC2C1=O |
| InChI | InChI=1S/C26H22N2O2/c29-25-22-13-17-27(15-11-19-7-3-1-4-8-19)23(25)21-14-18-28(24(22)26(21)30)16-12-20-9-5-2-6-10-20/h1-18,21-24H |
| InChIK | XLSCWABVTQRRMK-UHFFFAOYSA-N |
| TotalMolweight | 394.473 |
| Molweight | 394.473 |
| MonoisotopicMass | 394.168128 |
| CLogP | 2.738 |
| CLogS | -4.96 |
| H Acceptors | 4 |
| TotalSurfaceArea | 304.62 |
| Relative PSA | 0.10892 |
| PolarSurfaceArea | 40.62 |
| Druglikeness | 2.104 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 17 |
| BasicNitrogens | 2 |
| StereoCon | unknown chirality |
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1 - 3,8-bis[(E)-2-phenylethenyl]-3,8-diazatricyclo[5.3.1.12,6]dodeca-4,9-diene-11,12-dione | 2 - 3,8-bis[(E)-2-phenylethenyl]-3,8-diazatricyclo[5.3.1.12,6]dodeca-4,9-diene-11,12-dione
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