(7E)-7-hydroxyiminobicyclo[10.2.2]hexadeca-1(14),12,15-trien-6-ol
Formula:C16H23NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7E)-7-hydroxyiminobicyclo[10.2.2]hexadeca-1(14),12,15-trien-6-ol is a drug-like molecule.
| MolName | (7E)-7-hydroxyiminobicyclo[10.2.2]hexadeca-1(14),12,15-trien-6-ol |
| MolecularFormula | C16H23NO2 |
| Smiles | OC(CCCCc1ccc(CCCC2)cc1)/C2=N/O |
| InChI | InChI=1S/C16H23NO2/c18-16-8-4-2-6-14-11-9-13(10-12-14)5-1-3-7-15(16)17-19/h9-12,16,18-19H,1-8H2/t16-/m0/s1 |
| InChIK | WMBZDNJMKXKFTB-INIZCTEOSA-N |
| TotalMolweight | 261.364 |
| Molweight | 261.364 |
| MonoisotopicMass | 261.172879 |
| CLogP | 4.3832 |
| CLogS | -3.956 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 218.01 |
| Relative PSA | 0.17297 |
| PolarSurfaceArea | 52.82 |
| Druglikeness | -5.1326 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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1 - (7E)-7-hydroxyiminobicyclo[10.2.2]hexadeca-1(14),12,15-trien-6-ol | 2 - (7E)-7-hydroxyiminobicyclo[10.2.2]hexadeca-1(14),12,15-trien-6-ol
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