1-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6,7,7a-tetrahydro-4H-indol-2-one
Formula:C20H26N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6,7,7a-tetrahydro-4H-indol-2-one is a drug-like molecule.
| MolName | 1-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6,7,7a-tetrahydro-4H-indol-2-one |
| MolecularFormula | C20H26N2O3 |
| Smiles | O=C(C=C1C2CCCC1)N2c(cc1)ccc1OCCN1CCOCC1 |
| InChI | InChI=1S/C20H26N2O3/c23-20-15-16-3-1-2-4-19(16)22(20)17-5-7-18(8-6-17)25-14-11-21-9-12-24-13-10-21/h5-8,15,19H,1-4,9-14H2/t19-/m1/s1 |
| InChIK | BWPOSTCZAIFGAV-LJQANCHMSA-N |
| TotalMolweight | 342.437 |
| Molweight | 342.437 |
| MonoisotopicMass | 342.194343 |
| CLogP | 2.0635 |
| CLogS | -2.728 |
| H Acceptors | 5 |
| TotalSurfaceArea | 265.92 |
| Relative PSA | 0.15095 |
| PolarSurfaceArea | 42.01 |
| Druglikeness | -2.6347 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 14 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 1-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6,7,7a-tetrahydro-4H-indol-2-one | 2 - 1-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6,7,7a-tetrahydro-4H-indol-2-one
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