4,6-dichloro-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-indol-2-one
Formula:C18H13NO3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4,6-dichloro-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-indol-2-one is a drug-like molecule.
| MolName | 4,6-dichloro-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-indol-2-one |
| MolecularFormula | C18H13NO3Cl2 |
| Smiles | OC(CC(/C=C/c1ccccc1)=O)(c(c(N1)cc(Cl)c2)c2Cl)C1=O |
| InChI | InChI=1S/C18H13Cl2NO3/c19-12-8-14(20)16-15(9-12)21-17(23)18(16,24)10-13(22)7-6-11-4-2-1-3-5-11/h1-9,24H,10H2,(H,21,23)/t18-/m0/s1 |
| InChIK | GHXRGSAUNOTDED-SFHVURJKSA-N |
| TotalMolweight | 362.211 |
| Molweight | 362.211 |
| MonoisotopicMass | 361.027248 |
| CLogP | 3.2763 |
| CLogS | -5.077 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 254.34 |
| Relative PSA | 0.1991 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | 4.12 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 4,6-dichloro-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-indol-2-one | 2 - 4,6-dichloro-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-indol-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off