4-[(4E)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]benzenesulfonic acid
Formula:C24H18N2O4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-[(4E)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]benzenesulfonic acid is a drug-like molecule.
| MolName | 4-[(4E)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]benzenesulfonic acid |
| MolecularFormula | C24H18N2O4S |
| Smiles | OS(c(cc1)ccc1N(C1=O)C(c2ccccc2)=N/C1=C/C=C/c1ccccc1)(=O)=O |
| InChI | InChI=1S/C24H18N2O4S/c27-24-22(13-7-10-18-8-3-1-4-9-18)25-23(19-11-5-2-6-12-19)26(24)20-14-16-21(17-15-20)31(28,29)30/h1-17H,(H,28,29,30) |
| InChIK | AWHBNFSGJTVTNB-UHFFFAOYSA-N |
| TotalMolweight | 430.483 |
| Molweight | 430.483 |
| MonoisotopicMass | 430.098728 |
| CLogP | 2.5647 |
| CLogS | -4.184 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 316.44 |
| Relative PSA | 0.22052 |
| PolarSurfaceArea | 95.42 |
| Druglikeness | 0.18184 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(4E)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]benzenesulfonic acid | 2 - 4-[(4E)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]benzenesulfonic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off