2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]naphthalene-1,5-disulfonic acid
Formula:C26H18N2O7S3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]naphthalene-1,5-disulfonic acid is not a drug-like molecule.
| MolName | 2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]naphthalene-1,5-disulfonic acid |
| MolecularFormula | C26H18N2O7S3 |
| Smiles | OS(c1c(ccc(N(C2=O)C(c3ccccc3)=N/C2=C\c(cccc2)c2S)c2S(O)(=O)=O)c2ccc1)(=O)=O |
| InChI | InChI=1S/C26H18N2O7S3/c29-26-20(15-17-9-4-5-11-22(17)36)27-25(16-7-2-1-3-8-16)28(26)21-14-13-18-19(24(21)38(33,34)35)10-6-12-23(18)37(30,31)32/h1-15,36H,(H,30,31,32)(H,33,34,35) |
| InChIK | OKRDUDXMDKLWST-UHFFFAOYSA-N |
| TotalMolweight | 566.634 |
| Molweight | 566.634 |
| MonoisotopicMass | 566.027613 |
| CLogP | 0.8142 |
| CLogS | -5.19 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 375.33 |
| Relative PSA | 0.35721 |
| PolarSurfaceArea | 196.97 |
| Druglikeness | 0.66776 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.39474 |
| 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 | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]naphthalene-1,5-disulfonic acid | 2 - 2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]naphthalene-1,5-disulfonic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off