(3E)-3-[(4-chlorophenyl)methoxyimino]-1-[(3,4-dichlorophenyl)methyl]indol-2-one
Formula:C22H15N2O2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(4-chlorophenyl)methoxyimino]-1-[(3,4-dichlorophenyl)methyl]indol-2-one is not a drug-like molecule.
| MolName | (3E)-3-[(4-chlorophenyl)methoxyimino]-1-[(3,4-dichlorophenyl)methyl]indol-2-one |
| MolecularFormula | C22H15N2O2Cl3 |
| Smiles | O=C1N(Cc(cc2)cc(Cl)c2Cl)c(cccc2)c2/C1=N\OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C22H15Cl3N2O2/c23-16-8-5-14(6-9-16)13-29-26-21-17-3-1-2-4-20(17)27(22(21)28)12-15-7-10-18(24)19(25)11-15/h1-11H,12-13H2 |
| InChIK | PGPFQMGQQHDTEA-UHFFFAOYSA-N |
| TotalMolweight | 445.732 |
| Molweight | 445.732 |
| MonoisotopicMass | 444.019909 |
| CLogP | 6.0553 |
| CLogS | -7.397 |
| H Acceptors | 4 |
| TotalSurfaceArea | 314.08 |
| Relative PSA | 0.12131 |
| PolarSurfaceArea | 41.9 |
| Druglikeness | 5.4234 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3E)-3-[(4-chlorophenyl)methoxyimino]-1-[(3,4-dichlorophenyl)methyl]indol-2-one | 2 - (3E)-3-[(4-chlorophenyl)methoxyimino]-1-[(3,4-dichlorophenyl)methyl]indol-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off