(4E)-5-phenyl-4-[(4-phenyldiazenylphenyl)hydrazinylidene]-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one
Formula:C30H21N7OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(4E)-5-phenyl-4-[(4-phenyldiazenylphenyl)hydrazinylidene]-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one is not a drug-like molecule.
| MolName | (4E)-5-phenyl-4-[(4-phenyldiazenylphenyl)hydrazinylidene]-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one |
| MolecularFormula | C30H21N7OS |
| Smiles | O=C(/C1=N/Nc(cc2)ccc2/N=N/c2ccccc2)N(c2nc(-c3ccccc3)cs2)N=C1c1ccccc1 |
| InChI | InChI=1S/C30H21N7OS/c38-29-28(35-34-25-18-16-24(17-19-25)33-32-23-14-8-3-9-15-23)27(22-12-6-2-7-13-22)36-37(29)30-31-26(20-39-30)21-10-4-1-5-11-21/h1-20,34H |
| InChIK | LUDUBNQXLIRQRN-UHFFFAOYSA-N |
| TotalMolweight | 527.611 |
| Molweight | 527.611 |
| MonoisotopicMass | 527.152828 |
| CLogP | 9.1569 |
| CLogS | -8.301 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 401.97 |
| Relative PSA | 0.26226 |
| PolarSurfaceArea | 122.91 |
| Druglikeness | 1.5062 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | azo |
| Shape Index | 0.5641 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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