(13Z)-9,13-dibenzylidene-11-oxapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene
Formula:C32H24O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(13Z)-9,13-dibenzylidene-11-oxapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene is not a drug-like molecule.
| MolName | (13Z)-9,13-dibenzylidene-11-oxapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene |
| MolecularFormula | C32H24O |
| Smiles | C(c1ccccc1)=C(\C(C1C2c3c4cccc3)OC2C4=Cc2ccccc2)/c2c1cccc2 |
| InChI | InChI=1S/C32H24O/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)29-30-26-18-10-8-16-24(26)28(32(30)33-31(27)29)20-22-13-5-2-6-14-22/h1-20,29-32H |
| InChIK | QTCLDESTKURNLW-UHFFFAOYSA-N |
| TotalMolweight | 424.542 |
| Molweight | 424.542 |
| MonoisotopicMass | 424.182715 |
| CLogP | 7.1734 |
| CLogS | -7.035 |
| H Acceptors | 1 |
| TotalSurfaceArea | 321.46 |
| Relative PSA | 0.031108 |
| PolarSurfaceArea | 9.23 |
| Druglikeness | -0.1417 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon | unknown chirality |
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1 - (13Z)-9,13-dibenzylidene-11-oxapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene | 2 - (13Z)-9,13-dibenzylidene-11-oxapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene
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