(3Z)-3-hydroxyimino-2-phenylbicyclo[3.2.1]octan-2-ol
Formula:C14H17NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-hydroxyimino-2-phenylbicyclo[3.2.1]octan-2-ol is a drug-like molecule.
| MolName | (3Z)-3-hydroxyimino-2-phenylbicyclo[3.2.1]octan-2-ol |
| MolecularFormula | C14H17NO2 |
| Smiles | OC(C(CC1)CC1C1)(/C1=N\O)c1ccccc1 |
| InChI | InChI=1S/C14H17NO2/c16-14(11-4-2-1-3-5-11)12-7-6-10(8-12)9-13(14)15-17/h1-5,10,12,16-17H,6-9H2 |
| InChIK | QWYYTDXLSBJUSZ-UHFFFAOYSA-N |
| TotalMolweight | 231.294 |
| Molweight | 231.294 |
| MonoisotopicMass | 231.125929 |
| CLogP | 2.9424 |
| CLogS | -3.314 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 172.38 |
| Relative PSA | 0.21876 |
| PolarSurfaceArea | 52.82 |
| Druglikeness | -0.965 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
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1 - (3Z)-3-hydroxyimino-2-phenylbicyclo[3.2.1]octan-2-ol | 2 - (3Z)-3-hydroxyimino-2-phenylbicyclo[3.2.1]octan-2-ol
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