(2Z)-2-benzylidene-6-(morpholin-4-ylmethyl)cyclohexan-1-one
Formula:C18H23NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-benzylidene-6-(morpholin-4-ylmethyl)cyclohexan-1-one is a drug-like molecule.
| MolName | (2Z)-2-benzylidene-6-(morpholin-4-ylmethyl)cyclohexan-1-one |
| MolecularFormula | C18H23NO2 |
| Smiles | O=C(C(CN1CCOCC1)CCC1)/C1=C\c1ccccc1 |
| InChI | InChI=1S/C18H23NO2/c20-18-16(13-15-5-2-1-3-6-15)7-4-8-17(18)14-19-9-11-21-12-10-19/h1-3,5-6,13,17H,4,7-12,14H2/t17-/m1/s1 |
| InChIK | XLHVHZOUMWHBQL-QGZVFWFLSA-N |
| TotalMolweight | 285.386 |
| Molweight | 285.386 |
| MonoisotopicMass | 285.172879 |
| CLogP | 2.6226 |
| CLogS | -2.546 |
| H Acceptors | 3 |
| TotalSurfaceArea | 231.6 |
| Relative PSA | 0.11481 |
| PolarSurfaceArea | 29.54 |
| Druglikeness | 0.34182 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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