(3Z)-3-[[4-[(4-bromophenyl)methoxy]-3-chlorophenyl]methylidene]-1H-indol-2-one
Formula:C22H15NO2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3Z)-3-[[4-[(4-bromophenyl)methoxy]-3-chlorophenyl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[[4-[(4-bromophenyl)methoxy]-3-chlorophenyl]methylidene]-1H-indol-2-one |
| MolecularFormula | C22H15NO2BrCl |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c(cc1)cc(Cl)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C22H15BrClNO2/c23-16-8-5-14(6-9-16)13-27-21-10-7-15(12-19(21)24)11-18-17-3-1-2-4-20(17)25-22(18)26/h1-12H,13H2,(H,25,26) |
| InChIK | GEUNPHAGYYQPKI-UHFFFAOYSA-N |
| TotalMolweight | 440.723 |
| Molweight | 440.723 |
| MonoisotopicMass | 438.997467 |
| CLogP | 4.945 |
| CLogS | -6.28 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 291.01 |
| Relative PSA | 0.11855 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | 0.69802 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3Z)-3-[[4-[(4-bromophenyl)methoxy]-3-chlorophenyl]methylidene]-1H-indol-2-one | 2 - (3Z)-3-[[4-[(4-bromophenyl)methoxy]-3-chlorophenyl]methylidene]-1H-indol-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off