(3Z)-5-phenyl-5,6-dihydro-2-benzoxocin-1-one
Formula:C17H14O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-5-phenyl-5,6-dihydro-2-benzoxocin-1-one is a drug-like molecule.
| MolName | (3Z)-5-phenyl-5,6-dihydro-2-benzoxocin-1-one |
| MolecularFormula | C17H14O2 |
| Smiles | O=C(c1c(C2)cccc1)O/C=C\C2c1ccccc1 |
| InChI | InChI=1S/C17H14O2/c18-17-16-9-5-4-8-15(16)12-14(10-11-19-17)13-6-2-1-3-7-13/h1-11,14H,12H2/t14-/m0/s1 |
| InChIK | LPQMUKNRTNHKEO-AWEZNQCLSA-N |
| TotalMolweight | 250.296 |
| Molweight | 250.296 |
| MonoisotopicMass | 250.09938 |
| CLogP | 3.8386 |
| CLogS | -4.103 |
| H Acceptors | 2 |
| TotalSurfaceArea | 200.03 |
| Relative PSA | 0.11518 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -1.0849 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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