2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]naphthalene-1,5-disulfonic acid
Formula:C26H18N2O8S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]naphthalene-1,5-disulfonic acid is not a drug-like molecule.
| MolName | 2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]naphthalene-1,5-disulfonic acid |
| MolecularFormula | C26H18N2O8S2 |
| Smiles | Oc1ccc(/C=C(/C2=O)\N=C(c3ccccc3)N2c(ccc(c2ccc3)c3S(O)(=O)=O)c2S(O)(=O)=O)cc1 |
| InChI | InChI=1S/C26H18N2O8S2/c29-18-11-9-16(10-12-18)15-21-26(30)28(25(27-21)17-5-2-1-3-6-17)22-14-13-19-20(24(22)38(34,35)36)7-4-8-23(19)37(31,32)33/h1-15,29H,(H,31,32,33)(H,34,35,36) |
| InChIK | NGLGHTZPNXDRCH-UHFFFAOYSA-N |
| TotalMolweight | 550.567 |
| Molweight | 550.567 |
| MonoisotopicMass | 550.050458 |
| CLogP | 0.5275 |
| CLogS | -3.788 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 365.82 |
| Relative PSA | 0.3405 |
| PolarSurfaceArea | 178.4 |
| Druglikeness | 3.1302 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.42105 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]naphthalene-1,5-disulfonic acid | 2 - 2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]naphthalene-1,5-disulfonic acid
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