7-hydroxy-4-(phenylsulfanylmethyl)chromen-2-one
Formula:C16H12O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
7-hydroxy-4-(phenylsulfanylmethyl)chromen-2-one is a drug-like molecule.
| MolName | 7-hydroxy-4-(phenylsulfanylmethyl)chromen-2-one |
| MolecularFormula | C16H12O3S |
| Smiles | Oc(cc1)cc(O2)c1C(CSc1ccccc1)=CC2=O |
| InChI | InChI=1S/C16H12O3S/c17-12-6-7-14-11(8-16(18)19-15(14)9-12)10-20-13-4-2-1-3-5-13/h1-9,17H,10H2 |
| InChIK | ARIWKXMOXGLFME-UHFFFAOYSA-N |
| TotalMolweight | 284.334 |
| Molweight | 284.334 |
| MonoisotopicMass | 284.050715 |
| CLogP | 2.8865 |
| CLogS | -3.515 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 209.58 |
| Relative PSA | 0.25589 |
| PolarSurfaceArea | 71.83 |
| Druglikeness | -2.0259 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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