(E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
Formula:C15H14N2O6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoic acid |
| MolecularFormula | C15H14N2O6S2 |
| Smiles | NS(c1cccc(NS(c2ccc(/C=C/C(O)=O)cc2)(=O)=O)c1)(=O)=O |
| InChI | InChI=1S/C15H14N2O6S2/c16-24(20,21)14-3-1-2-12(10-14)17-25(22,23)13-7-4-11(5-8-13)6-9-15(18)19/h1-10,17H,(H,18,19)(H2,16,20,21) |
| InChIK | BYSJZGXMBUTLBS-UHFFFAOYSA-N |
| TotalMolweight | 382.416 |
| Molweight | 382.416 |
| MonoisotopicMass | 382.029328 |
| CLogP | 0.537 |
| CLogS | -3.231 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 260.76 |
| Relative PSA | 0.42196 |
| PolarSurfaceArea | 160.39 |
| Druglikeness | -0.81044 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoic acid | 2 - (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off