(2Z)-2-[[4-(trifluoromethoxy)anilino]methylidene]-4,9-dihydro-3H-carbazol-1-one
Formula:C20H15N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[[4-(trifluoromethoxy)anilino]methylidene]-4,9-dihydro-3H-carbazol-1-one is a drug-like molecule.
| MolName | (2Z)-2-[[4-(trifluoromethoxy)anilino]methylidene]-4,9-dihydro-3H-carbazol-1-one |
| MolecularFormula | C20H15N2O2F3 |
| Smiles | O=C(c1c(CC2)c(cccc3)c3[nH]1)/C2=C\Nc(cc1)ccc1OC(F)(F)F |
| InChI | InChI=1S/C20H15F3N2O2/c21-20(22,23)27-14-8-6-13(7-9-14)24-11-12-5-10-16-15-3-1-2-4-17(15)25-18(16)19(12)26/h1-4,6-9,11,24-25H,5,10H2 |
| InChIK | GROKYYZBVJXXMN-UHFFFAOYSA-N |
| TotalMolweight | 372.345 |
| Molweight | 372.345 |
| MonoisotopicMass | 372.108562 |
| CLogP | 4.3759 |
| CLogS | -5.801 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 264.59 |
| Relative PSA | 0.18326 |
| PolarSurfaceArea | 54.12 |
| Druglikeness | -7.089 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[[4-(trifluoromethoxy)anilino]methylidene]-4,9-dihydro-3H-carbazol-1-one | 2 - (2Z)-2-[[4-(trifluoromethoxy)anilino]methylidene]-4,9-dihydro-3H-carbazol-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off