7-hydroxy-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one
Formula:C18H19N2O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
7-hydroxy-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one is a drug-like molecule.
| MolName | 7-hydroxy-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one |
| MolecularFormula | C18H19N2O5S2 |
| Smiles | Oc(cc1)cc(O2)c1C(C[NH+](CC1)CCN1S(c1cccs1)(=O)=O)=CC2=O |
| InChI | InChI=1S/C18H18N2O5S2/c21-14-3-4-15-13(10-17(22)25-16(15)11-14)12-19-5-7-20(8-6-19)27(23,24)18-2-1-9-26-18/h1-4,9-11,21H,5-8,12H2/p+1 |
| InChIK | SVDPHFVJEWLSTJ-UHFFFAOYSA-O |
| TotalMolweight | 407.49 |
| Molweight | 407.49 |
| MonoisotopicMass | 407.073538 |
| CLogP | -0.6498 |
| CLogS | -1.36 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 292.79 |
| Relative PSA | 0.36279 |
| PolarSurfaceArea | 124.97 |
| Druglikeness | -3.2463 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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