7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-2-one
Formula:C20H19NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-2-one is a drug-like molecule.
| MolName | 7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-2-one |
| MolecularFormula | C20H19NO4 |
| Smiles | Oc(cc1)c(CN2CCOCC2)c(O2)c1C=C(c1ccccc1)C2=O |
| InChI | InChI=1S/C20H19NO4/c22-18-7-6-15-12-16(14-4-2-1-3-5-14)20(23)25-19(15)17(18)13-21-8-10-24-11-9-21/h1-7,12,22H,8-11,13H2 |
| InChIK | KWHLYUUHTKVQIQ-UHFFFAOYSA-N |
| TotalMolweight | 337.374 |
| Molweight | 337.374 |
| MonoisotopicMass | 337.131409 |
| CLogP | 1.9988 |
| CLogS | -2.612 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 253.93 |
| Relative PSA | 0.19568 |
| PolarSurfaceArea | 59 |
| Druglikeness | 2.2303 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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