(3Z)-3-[[1-[4-(trifluoromethoxy)phenyl]pyrrol-2-yl]methylidene]-1H-indol-2-one
Formula:C20H13N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[[1-[4-(trifluoromethoxy)phenyl]pyrrol-2-yl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[[1-[4-(trifluoromethoxy)phenyl]pyrrol-2-yl]methylidene]-1H-indol-2-one |
| MolecularFormula | C20H13N2O2F3 |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c1cccn1-c(cc1)ccc1OC(F)(F)F |
| InChI | InChI=1S/C20H13F3N2O2/c21-20(22,23)27-15-9-7-13(8-10-15)25-11-3-4-14(25)12-17-16-5-1-2-6-18(16)24-19(17)26/h1-12H,(H,24,26) |
| InChIK | DSKGLNGWHMOQJN-UHFFFAOYSA-N |
| TotalMolweight | 370.329 |
| Molweight | 370.329 |
| MonoisotopicMass | 370.092912 |
| CLogP | 3.6036 |
| CLogS | -6.729 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 261.86 |
| Relative PSA | 0.15799 |
| PolarSurfaceArea | 43.26 |
| Druglikeness | -4.4147 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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