(3Z)-3-[[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1H-indol-2-one
Formula:C20H13N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1H-indol-2-one |
| MolecularFormula | C20H13N2OF3 |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c1cccn1-c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C20H13F3N2O/c21-20(22,23)13-7-9-14(10-8-13)25-11-3-4-15(25)12-17-16-5-1-2-6-18(16)24-19(17)26/h1-12H,(H,24,26) |
| InChIK | DHCUSFXCBZAYRM-UHFFFAOYSA-N |
| TotalMolweight | 354.33 |
| Molweight | 354.33 |
| MonoisotopicMass | 354.097997 |
| CLogP | 3.3529 |
| CLogS | -6.484 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 251.86 |
| Relative PSA | 0.12455 |
| PolarSurfaceArea | 34.03 |
| Druglikeness | -3.5445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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