2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-4-sulfobenzoic acid
Formula:C23H16N2O7S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-4-sulfobenzoic acid is a drug-like molecule.
| MolName | 2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-4-sulfobenzoic acid |
| MolecularFormula | C23H16N2O7S |
| Smiles | OC(c(ccc(S(O)(=O)=O)c1)c1N(C1=O)C(c2ccccc2)=N/C1=C\c(cc1)ccc1O)=O |
| InChI | InChI=1S/C23H16N2O7S/c26-16-8-6-14(7-9-16)12-19-22(27)25(21(24-19)15-4-2-1-3-5-15)20-13-17(33(30,31)32)10-11-18(20)23(28)29/h1-13,26H,(H,28,29)(H,30,31,32) |
| InChIK | JPDNLPTYSDRSLB-UHFFFAOYSA-N |
| TotalMolweight | 464.453 |
| Molweight | 464.453 |
| MonoisotopicMass | 464.067823 |
| CLogP | 1.0475 |
| CLogS | -3.589 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 320.39 |
| Relative PSA | 0.34027 |
| PolarSurfaceArea | 152.95 |
| Druglikeness | 1.2462 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-4-sulfobenzoic acid | 2 - 2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-4-sulfobenzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off