4-[(4-chlorophenyl)sulfanylmethyl]-7-hydroxychromen-2-one
Formula:C16H11O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(4-chlorophenyl)sulfanylmethyl]-7-hydroxychromen-2-one is a drug-like molecule.
| MolName | 4-[(4-chlorophenyl)sulfanylmethyl]-7-hydroxychromen-2-one |
| MolecularFormula | C16H11O3ClS |
| Smiles | Oc(cc1)cc(O2)c1C(CSc(cc1)ccc1Cl)=CC2=O |
| InChI | InChI=1S/C16H11ClO3S/c17-11-1-4-13(5-2-11)21-9-10-7-16(19)20-15-8-12(18)3-6-14(10)15/h1-8,18H,9H2 |
| InChIK | HTNDNPPKRSTWPY-UHFFFAOYSA-N |
| TotalMolweight | 318.779 |
| Molweight | 318.779 |
| MonoisotopicMass | 318.011742 |
| CLogP | 3.4925 |
| CLogS | -4.251 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 225 |
| Relative PSA | 0.23836 |
| PolarSurfaceArea | 71.83 |
| Druglikeness | -1.9235 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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