6-hydroxy-2-phenyl-1,2-benzoselenazol-3-one
Formula:C13H9NO2Se
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
6-hydroxy-2-phenyl-1,2-benzoselenazol-3-one is a drug-like molecule.
| MolName | 6-hydroxy-2-phenyl-1,2-benzoselenazol-3-one |
| MolecularFormula | C13H9NO2Se |
| Smiles | Oc(cc1)cc([Se]N2c3ccccc3)c1C2=O |
| InChI | InChI=1S/C13H9NO2Se/c15-10-6-7-11-12(8-10)17-14(13(11)16)9-4-2-1-3-5-9/h1-8,15H |
| InChIK | IPMOSNBKBPNMRR-UHFFFAOYSA-N |
| TotalMolweight | 290.179 |
| Molweight | 290.179 |
| MonoisotopicMass | 290.979849 |
| CLogP | 2.3164 |
| CLogS | -4.554 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 153.92 |
| Relative PSA | 0.19289 |
| PolarSurfaceArea | 40.54 |
| Druglikeness | -2.9934 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | unwanted atom |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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