(6Z,16Z)-21,22,23,24-tetraoxapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene
Formula:C20H12O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(6Z,16Z)-21,22,23,24-tetraoxapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene is a drug-like molecule.
| MolName | (6Z,16Z)-21,22,23,24-tetraoxapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene |
| MolecularFormula | C20H12O4 |
| Smiles | c1c(/C=C\c2ccc(-c3ccc(/C=C\c4ccc-5o4)o3)o2)oc5c1 |
| InChI | InChI=1S/C20H12O4/c1-2-14-6-10-19(22-14)20-12-8-16(24-20)4-3-15-7-11-18(23-15)17-9-5-13(1)21-17/h1-12H |
| InChIK | IOYARMIWXARBKW-UHFFFAOYSA-N |
| TotalMolweight | 316.311 |
| Molweight | 316.311 |
| MonoisotopicMass | 316.07356 |
| CLogP | 4.8512 |
| CLogS | -6.47 |
| H Acceptors | 4 |
| TotalSurfaceArea | 250.8 |
| Relative PSA | 0.22504 |
| PolarSurfaceArea | 52.56 |
| Druglikeness | 0.4875 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 5 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 18 |
| StereoCon |
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1 - (6Z,16Z)-21,22,23,24-tetraoxapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene | 2 - (6Z,16Z)-21,22,23,24-tetraoxapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene
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