(3Z)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol
Formula:C16H21NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol is a drug-like molecule.
| MolName | (3Z)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol |
| MolecularFormula | C16H21NO2 |
| Smiles | OC(CC(CCCC1)C1C1)(/C1=N\O)c1ccccc1 |
| InChI | InChI=1S/C16H21NO2/c18-16(14-8-2-1-3-9-14)11-13-7-5-4-6-12(13)10-15(16)17-19/h1-3,8-9,12-13,18-19H,4-7,10-11H2 |
| InChIK | KMELCHREZIDTNB-UHFFFAOYSA-N |
| TotalMolweight | 259.348 |
| Molweight | 259.348 |
| MonoisotopicMass | 259.157229 |
| CLogP | 3.6264 |
| CLogS | -3.854 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 199.9 |
| Relative PSA | 0.18864 |
| PolarSurfaceArea | 52.82 |
| Druglikeness | -4.9876 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
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1 - (3Z)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol | 2 - (3Z)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol
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