(E)-4-oxo-4-[(4-sulfamoylphenyl)methylamino]but-2-enoic acid
Formula:C11H12N2O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-oxo-4-[(4-sulfamoylphenyl)methylamino]but-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-oxo-4-[(4-sulfamoylphenyl)methylamino]but-2-enoic acid |
| MolecularFormula | C11H12N2O5S |
| Smiles | NS(c1ccc(CNC(/C=C/C(O)=O)=O)cc1)(=O)=O |
| InChI | InChI=1S/C11H12N2O5S/c12-19(17,18)9-3-1-8(2-4-9)7-13-10(14)5-6-11(15)16/h1-6H,7H2,(H,13,14)(H,15,16)(H2,12,17,18) |
| InChIK | CCHMVNLKSDXQAV-UHFFFAOYSA-N |
| TotalMolweight | 284.291 |
| Molweight | 284.291 |
| MonoisotopicMass | 284.046693 |
| CLogP | -0.783 |
| CLogS | -1.46 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 203.93 |
| Relative PSA | 0.46335 |
| PolarSurfaceArea | 134.94 |
| Druglikeness | 3.7571 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-4-oxo-4-[(4-sulfamoylphenyl)methylamino]but-2-enoic acid | 2 - (E)-4-oxo-4-[(4-sulfamoylphenyl)methylamino]but-2-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off