(E)-4-[4-(furan-2-ylmethylsulfamoyl)anilino]-4-oxobut-2-enoate
Formula:C15H13N2O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-[4-(furan-2-ylmethylsulfamoyl)anilino]-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-[4-(furan-2-ylmethylsulfamoyl)anilino]-4-oxobut-2-enoate |
| MolecularFormula | C15H13N2O6S |
| Smiles | [O-]C(/C=C/C(Nc(cc1)ccc1S(NCc1ccco1)(=O)=O)=O)=O |
| InChI | InChI=1S/C15H14N2O6S/c18-14(7-8-15(19)20)17-11-3-5-13(6-4-11)24(21,22)16-10-12-2-1-9-23-12/h1-9,16H,10H2,(H,17,18)(H,19,20)/p-1 |
| InChIK | AVBWKEVDRFKJCY-UHFFFAOYSA-M |
| TotalMolweight | 349.342 |
| Molweight | 349.342 |
| MonoisotopicMass | 349.049433 |
| CLogP | -1.6002 |
| CLogS | -2.303 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 257.5 |
| Relative PSA | 0.41153 |
| PolarSurfaceArea | 136.92 |
| Druglikeness | 3.6824 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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