7-hydroxy-4-(pyridin-2-ylsulfanylmethyl)chromen-2-one
Formula:C15H11NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
7-hydroxy-4-(pyridin-2-ylsulfanylmethyl)chromen-2-one is a drug-like molecule.
| MolName | 7-hydroxy-4-(pyridin-2-ylsulfanylmethyl)chromen-2-one |
| MolecularFormula | C15H11NO3S |
| Smiles | Oc(cc1)cc(O2)c1C(CSc1ncccc1)=CC2=O |
| InChI | InChI=1S/C15H11NO3S/c17-11-4-5-12-10(7-15(18)19-13(12)8-11)9-20-14-3-1-2-6-16-14/h1-8,17H,9H2 |
| InChIK | RMJSMMHQMLUNDP-UHFFFAOYSA-N |
| TotalMolweight | 285.322 |
| Molweight | 285.322 |
| MonoisotopicMass | 285.045964 |
| CLogP | 1.983 |
| CLogS | -2.483 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 208.34 |
| Relative PSA | 0.31007 |
| PolarSurfaceArea | 84.72 |
| Druglikeness | -1.8555 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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