2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]naphthalene-1,5-disulfonic acid
Formula:C32H22N2O8S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]naphthalene-1,5-disulfonic acid is not a drug-like molecule.
| MolName | 2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]naphthalene-1,5-disulfonic acid |
| MolecularFormula | C32H22N2O8S2 |
| Smiles | OS(c1c(ccc(N(C2=O)C(c3ccccc3)=N/C2=C\c2cc(Oc3ccccc3)ccc2)c2S(O)(=O)=O)c2ccc1)(=O)=O |
| InChI | InChI=1S/C32H22N2O8S2/c35-32-27(20-21-9-7-14-24(19-21)42-23-12-5-2-6-13-23)33-31(22-10-3-1-4-11-22)34(32)28-18-17-25-26(30(28)44(39,40)41)15-8-16-29(25)43(36,37)38/h1-20H,(H,36,37,38)(H,39,40,41) |
| InChIK | ATANGRIGWTWTCV-UHFFFAOYSA-N |
| TotalMolweight | 626.665 |
| Molweight | 626.665 |
| MonoisotopicMass | 626.081758 |
| CLogP | 2.2688 |
| CLogS | -6.381 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 429.23 |
| Relative PSA | 0.28297 |
| PolarSurfaceArea | 167.4 |
| Druglikeness | 3.0564 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.43182 |
| Fragments | 1 |
| Non HAtoms | 44 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]naphthalene-1,5-disulfonic acid | 2 - 2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]naphthalene-1,5-disulfonic acid
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