(2E)-2-[(4-chlorophenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one
Formula:C17H20NO2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(4-chlorophenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one is a drug-like molecule.
| MolName | (2E)-2-[(4-chlorophenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one |
| MolecularFormula | C17H20NO2Cl |
| Smiles | O=C(C(CN1CCOCC1)CC1)/C1=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H20ClNO2/c18-16-5-1-13(2-6-16)11-14-3-4-15(17(14)20)12-19-7-9-21-10-8-19/h1-2,5-6,11,15H,3-4,7-10,12H2/t15-/m0/s1 |
| InChIK | LXBBPKMIGIGWQZ-HNNXBMFYSA-N |
| TotalMolweight | 305.804 |
| Molweight | 305.804 |
| MonoisotopicMass | 305.118256 |
| CLogP | 2.8866 |
| CLogS | -3.012 |
| H Acceptors | 3 |
| TotalSurfaceArea | 233.26 |
| Relative PSA | 0.11399 |
| PolarSurfaceArea | 29.54 |
| Druglikeness | 2.2667 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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