(3S)-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
Formula:C17H13NO3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S)-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one is a drug-like molecule.
| MolName | (3S)-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one |
| MolecularFormula | C17H13NO3Cl2 |
| Smiles | Cc(cc1)cc([C@]2(CC(c(ccc(Cl)c3)c3Cl)=O)O)c1NC2=O |
| InChI | InChI=1S/C17H13Cl2NO3/c1-9-2-5-14-12(6-9)17(23,16(22)20-14)8-15(21)11-4-3-10(18)7-13(11)19/h2-7,23H,8H2,1H3,(H,20,22)/t17-/m0/s1 |
| InChIK | LMRRUBSCEKRCHY-KRWDZBQOSA-N |
| TotalMolweight | 350.2 |
| Molweight | 350.2 |
| MonoisotopicMass | 349.027248 |
| CLogP | 2.9994 |
| CLogS | -5.275 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 240.1 |
| Relative PSA | 0.21091 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | 3.3928 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3S)-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one | 2 - (3S)-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off