3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
Formula:C15H12NO4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate is a drug-like molecule.
| MolName | 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate |
| MolecularFormula | C15H12NO4S |
| Smiles | [O-]C(c1cccc(NS(/C=C/c2ccccc2)(=O)=O)c1)=O |
| InChI | InChI=1S/C15H13NO4S/c17-15(18)13-7-4-8-14(11-13)16-21(19,20)10-9-12-5-2-1-3-6-12/h1-11,16H,(H,17,18)/p-1 |
| InChIK | XCLRXFSRZUJEQY-UHFFFAOYSA-M |
| TotalMolweight | 302.329 |
| Molweight | 302.329 |
| MonoisotopicMass | 302.048704 |
| CLogP | -0.1063 |
| CLogS | -4.392 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 224.84 |
| Relative PSA | 0.29959 |
| PolarSurfaceArea | 94.68 |
| Druglikeness | -1.0928 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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