| MolName | morpholin-4-yl-(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanone |
| MolecularFormula | C22H19N3O2 |
| Smiles | O=C(c1nc(-c2ccccc2)c2[nH]c(cccc3)c3c2c1)N1CCOCC1 |
| InChI | InChI=1S/C22H19N3O2/c26-22(25-10-12-27-13-11-25)19-14-17-16-8-4-5-9-18(16)23-21(17)20(24-19)15-6-2-1-3-7-15/h1-9,14,23H,10-13H2 |
| InChIK | PZELMCNXHXYRLT-UHFFFAOYSA-N |
| TotalMolweight | 357.412 |
| Molweight | 357.412 |
| MonoisotopicMass | 357.147727 |
| CLogP | 3.4935 |
| CLogS | -4.359 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 270.14 |
| Relative PSA | 0.19083 |
| PolarSurfaceArea | 58.22 |
| Druglikeness | 2.9264 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - morpholin-4-yl-(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanone | 2 - morpholin-4-yl-(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanone