(3E)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-phenylfuran-2-one
Formula:C26H17N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-phenylfuran-2-one is a drug-like molecule.
| MolName | (3E)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-phenylfuran-2-one |
| MolecularFormula | C26H17N2O2Cl |
| Smiles | O=C1OC(c2ccccc2)=C/C1=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C26H17ClN2O2/c27-22-13-11-19(12-14-22)25-21(17-29(28-25)23-9-5-2-6-10-23)15-20-16-24(31-26(20)30)18-7-3-1-4-8-18/h1-17H |
| InChIK | GVQZXVMLPHULDJ-UHFFFAOYSA-N |
| TotalMolweight | 424.886 |
| Molweight | 424.886 |
| MonoisotopicMass | 424.097855 |
| CLogP | 4.9482 |
| CLogS | -5.926 |
| H Acceptors | 4 |
| TotalSurfaceArea | 319.59 |
| Relative PSA | 0.12791 |
| PolarSurfaceArea | 44.12 |
| Druglikeness | 2.9205 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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