(4Z)-4-(morpholin-4-ylmethylidene)-1-phenyl-1,2-dihydroisoquinolin-3-one
Formula:C20H20N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-(morpholin-4-ylmethylidene)-1-phenyl-1,2-dihydroisoquinolin-3-one is a drug-like molecule.
| MolName | (4Z)-4-(morpholin-4-ylmethylidene)-1-phenyl-1,2-dihydroisoquinolin-3-one |
| MolecularFormula | C20H20N2O2 |
| Smiles | O=C1NC(c2ccccc2)c(cccc2)c2/C1=C/N1CCOCC1 |
| InChI | InChI=1S/C20H20N2O2/c23-20-18(14-22-10-12-24-13-11-22)16-8-4-5-9-17(16)19(21-20)15-6-2-1-3-7-15/h1-9,14,19H,10-13H2,(H,21,23)/t19-/m0/s1 |
| InChIK | XJRGCHUHMPNDCL-IBGZPJMESA-N |
| TotalMolweight | 320.391 |
| Molweight | 320.391 |
| MonoisotopicMass | 320.152478 |
| CLogP | 1.8817 |
| CLogS | -2.589 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 247.78 |
| Relative PSA | 0.15356 |
| PolarSurfaceArea | 41.57 |
| Druglikeness | 3.9933 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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