(3Z)-3-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one
Formula:C22H14NO2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3Z)-3-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one is not a drug-like molecule.
| MolName | (3Z)-3-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one |
| MolecularFormula | C22H14NO2Cl3 |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c(cc1Cl)cc(Cl)c1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C22H14Cl3NO2/c23-15-7-5-13(6-8-15)12-28-21-18(24)10-14(11-19(21)25)9-17-16-3-1-2-4-20(16)26-22(17)27/h1-11H,12H2,(H,26,27) |
| InChIK | IROYTOZVYMZYEB-UHFFFAOYSA-N |
| TotalMolweight | 430.717 |
| Molweight | 430.717 |
| MonoisotopicMass | 429.00901 |
| CLogP | 5.4318 |
| CLogS | -6.918 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 303.22 |
| Relative PSA | 0.11378 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | 2.488 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3Z)-3-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one | 2 - (3Z)-3-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off