(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]prop-2-enoic acid
Formula:C14H13NO5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]prop-2-enoic acid |
| MolecularFormula | C14H13NO5S |
| Smiles | OC(/C=C/c1ccc(CNS(c2ccccc2)(=O)=O)o1)=O |
| InChI | InChI=1S/C14H13NO5S/c16-14(17)9-8-11-6-7-12(20-11)10-15-21(18,19)13-4-2-1-3-5-13/h1-9,15H,10H2,(H,16,17) |
| InChIK | OUVFCIAFBSVLQC-UHFFFAOYSA-N |
| TotalMolweight | 307.325 |
| Molweight | 307.325 |
| MonoisotopicMass | 307.051444 |
| CLogP | 1.2601 |
| CLogS | -2.581 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 227.11 |
| Relative PSA | 0.35353 |
| PolarSurfaceArea | 104.99 |
| Druglikeness | -3.4182 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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