(4E)-4-[(4-phenoxyphenyl)hydrazinylidene]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one
Formula:C30H21N5O2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(4E)-4-[(4-phenoxyphenyl)hydrazinylidene]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one is not a drug-like molecule.
| MolName | (4E)-4-[(4-phenoxyphenyl)hydrazinylidene]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one |
| MolecularFormula | C30H21N5O2S |
| Smiles | O=C(/C1=N/Nc(cc2)ccc2Oc2ccccc2)N(c2nc(-c3ccccc3)cs2)N=C1c1ccccc1 |
| InChI | InChI=1S/C30H21N5O2S/c36-29-28(33-32-23-16-18-25(19-17-23)37-24-14-8-3-9-15-24)27(22-12-6-2-7-13-22)34-35(29)30-31-26(20-38-30)21-10-4-1-5-11-21/h1-20,32H |
| InChIK | IUFKCMDAFZAELG-UHFFFAOYSA-N |
| TotalMolweight | 515.596 |
| Molweight | 515.596 |
| MonoisotopicMass | 515.141595 |
| CLogP | 8.3503 |
| CLogS | -8.106 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 388.95 |
| Relative PSA | 0.23756 |
| PolarSurfaceArea | 107.42 |
| Druglikeness | 5.9817 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55263 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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