(3Z)-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
Formula:C16H10NOF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3Z)-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one |
| MolecularFormula | C16H10NOF3 |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C16H10F3NO/c17-16(18,19)11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)20-15(13)21/h1-9H,(H,20,21) |
| InChIK | AIDSRAJOUOPSSB-UHFFFAOYSA-N |
| TotalMolweight | 289.255 |
| Molweight | 289.255 |
| MonoisotopicMass | 289.071448 |
| CLogP | 3.114 |
| CLogS | -4.147 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 202.9 |
| Relative PSA | 0.12075 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -4.488 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3Z)-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one | 2 - (3Z)-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off