(16E)-16-benzylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one
Formula:C23H16O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(16E)-16-benzylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one is a drug-like molecule.
| MolName | (16E)-16-benzylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one |
| MolecularFormula | C23H16O |
| Smiles | O=C(C(c1c(C23)cccc1)c1c2cccc1)/C3=C/c1ccccc1 |
| InChI | InChI=1S/C23H16O/c24-23-20(14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)22(23)19-13-7-5-11-17(19)21/h1-14,21-22H |
| InChIK | BIXSRFQCPULOOF-UHFFFAOYSA-N |
| TotalMolweight | 308.379 |
| Molweight | 308.379 |
| MonoisotopicMass | 308.120115 |
| CLogP | 4.0832 |
| CLogS | -4.966 |
| H Acceptors | 1 |
| TotalSurfaceArea | 233.24 |
| Relative PSA | 0.055908 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.45162 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - (16E)-16-benzylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one | 2 - (16E)-16-benzylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one
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