(3E)-5-chloro-3-[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1H-indol-2-one
Formula:C24H15N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-5-chloro-3-[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-5-chloro-3-[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1H-indol-2-one |
| MolecularFormula | C24H15N3OCl2 |
| Smiles | O=C1Nc(ccc(Cl)c2)c2/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 |
| InChI | InChI=1S/C24H15Cl2N3O/c25-17-6-4-5-15(11-17)23-16(14-29(28-23)19-7-2-1-3-8-19)12-21-20-13-18(26)9-10-22(20)27-24(21)30/h1-14H,(H,27,30) |
| InChIK | MUXWYLWXDAYHFD-UHFFFAOYSA-N |
| TotalMolweight | 432.309 |
| Molweight | 432.309 |
| MonoisotopicMass | 431.059216 |
| CLogP | 4.3967 |
| CLogS | -6.354 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 311.76 |
| Relative PSA | 0.13581 |
| PolarSurfaceArea | 46.92 |
| Druglikeness | 4.9586 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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