(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoate
Formula:C14H12NO5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoate |
| MolecularFormula | C14H12NO5S |
| Smiles | [O-]C(/C=C/c(cc1)ccc1S(NCc1ccco1)(=O)=O)=O |
| InChI | InChI=1S/C14H13NO5S/c16-14(17)8-5-11-3-6-13(7-4-11)21(18,19)15-10-12-2-1-9-20-12/h1-9,15H,10H2,(H,16,17)/p-1 |
| InChIK | VIBKQPVIIPWFQU-UHFFFAOYSA-M |
| TotalMolweight | 306.317 |
| Molweight | 306.317 |
| MonoisotopicMass | 306.043619 |
| CLogP | -0.8699 |
| CLogS | -2.557 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 228.29 |
| Relative PSA | 0.35687 |
| PolarSurfaceArea | 107.82 |
| Druglikeness | 2.8686 |
| Mutagenic | none |
| Tumorigenic | none |
| 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 |
Click to Load Molecule:
1 - (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoate | 2 - (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off