(3Z)-3-[[2-chloro-4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
Formula:C16H9NOClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3Z)-3-[[2-chloro-4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[[2-chloro-4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one |
| MolecularFormula | C16H9NOClF3 |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c(ccc(C(F)(F)F)c1)c1Cl |
| InChI | InChI=1S/C16H9ClF3NO/c17-13-8-10(16(18,19)20)6-5-9(13)7-12-11-3-1-2-4-14(11)21-15(12)22/h1-8H,(H,21,22) |
| InChIK | AHVQWWAKRUCRCU-UHFFFAOYSA-N |
| TotalMolweight | 323.7 |
| Molweight | 323.7 |
| MonoisotopicMass | 323.032475 |
| CLogP | 3.72 |
| CLogS | -4.883 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 218.32 |
| Relative PSA | 0.11222 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -4.4409 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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