(5E)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one
Formula:C10H15NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one is a drug-like molecule.
| MolName | (5E)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one |
| MolecularFormula | C10H15NO2 |
| Smiles | O/N=C(\CCC1)/C(CCC2)C1C2=O |
| InChI | InChI=1S/C10H15NO2/c12-10-6-2-3-7-8(10)4-1-5-9(7)11-13/h7-8,13H,1-6H2/b11-9+ |
| InChIK | WXJJVEPCYOWURA-PKNBQFBNSA-N |
| TotalMolweight | 181.234 |
| Molweight | 181.234 |
| MonoisotopicMass | 181.110279 |
| CLogP | 2.186 |
| CLogS | -2.775 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 141.13 |
| Relative PSA | 0.26678 |
| PolarSurfaceArea | 49.66 |
| Druglikeness | -4.1655 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 9 |
| StereoCon | unknown chirality |
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1 - (5E)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one | 2 - (5E)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one
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