(1Z,21E)-6,8,16,18,26,28-hexaoxaheptacyclo[21.7.0.03,11.05,9.013,21.015,19.025,29]triaconta-1,3,5(9),10,14,19,21,23,25(29)-nonaene
Formula:C24H18O6
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
(1Z,21E)-6,8,16,18,26,28-hexaoxaheptacyclo[21.7.0.03,11.05,9.013,21.015,19.025,29]triaconta-1,3,5(9),10,14,19,21,23,25(29)-nonaene is a drug-like molecule.
| MolName | (1Z,21E)-6,8,16,18,26,28-hexaoxaheptacyclo[21.7.0.03,11.05,9.013,21.015,19.025,29]triaconta-1,3,5(9),10,14,19,21,23,25(29)-nonaene |
| MolecularFormula | C24H18O6 |
| Smiles | C1OC(C=C(/C=C2/C=C3OCOC3=CC2C2)/C(/C3)=C\c4c2cc2OCOc2c4)=C3O1 |
| InChI | InChI=1S/C24H18O6/c1-13-4-19-21(27-10-25-19)6-15(13)2-17-8-23-24(30-12-29-23)9-18(17)3-16-7-22-20(5-14(1)16)26-11-28-22/h1-2,4-5,7-9,16H,3,6,10-12H2/t16-/m1/s1 |
| InChIK | UWGUXJYHMKTNPK-MRXNPFEDSA-N |
| TotalMolweight | 402.401 |
| Molweight | 402.401 |
| MonoisotopicMass | 402.11034 |
| CLogP | 4.1052 |
| CLogS | -6.594 |
| H Acceptors | 6 |
| TotalSurfaceArea | 280.03 |
| Relative PSA | 0.21426 |
| PolarSurfaceArea | 55.38 |
| Druglikeness | -0.047996 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.36667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rings Closures | 7 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (1Z,21E)-6,8,16,18,26,28-hexaoxaheptacyclo[21.7.0.03,11.05,9.013,21.015,19.025,29]triaconta-1,3,5(9),10,14,19,21,23,25(29)-nonaene | 2 - (1Z,21E)-6,8,16,18,26,28-hexaoxaheptacyclo[21.7.0.03,11.05,9.013,21.015,19.025,29]triaconta-1,3,5(9),10,14,19,21,23,25(29)-nonaene
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off