(2-oxooxolan-3-yl) 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
Formula:C19H17NO6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2-oxooxolan-3-yl) 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate is a drug-like molecule.
| MolName | (2-oxooxolan-3-yl) 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate |
| MolecularFormula | C19H17NO6S |
| Smiles | O=C(c1cccc(NS(/C=C/c2ccccc2)(=O)=O)c1)OC(CCO1)C1=O |
| InChI | InChI=1S/C19H17NO6S/c21-18(26-17-9-11-25-19(17)22)15-7-4-8-16(13-15)20-27(23,24)12-10-14-5-2-1-3-6-14/h1-8,10,12-13,17,20H,9,11H2/t17-/m0/s1 |
| InChIK | FDDLSKQIZIJKKW-KRWDZBQOSA-N |
| TotalMolweight | 387.411 |
| Molweight | 387.411 |
| MonoisotopicMass | 387.077659 |
| CLogP | 1.8811 |
| CLogS | -4.917 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 281.58 |
| Relative PSA | 0.30585 |
| PolarSurfaceArea | 107.15 |
| Druglikeness | 0.023411 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | racemate |
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