7-hydroxy-8-(morpholin-4-ylmethyl)chromen-2-one
Formula:C14H15NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-hydroxy-8-(morpholin-4-ylmethyl)chromen-2-one is a drug-like molecule.
| MolName | 7-hydroxy-8-(morpholin-4-ylmethyl)chromen-2-one |
| MolecularFormula | C14H15NO4 |
| Smiles | Oc(cc1)c(CN2CCOCC2)c(O2)c1C=CC2=O |
| InChI | InChI=1S/C14H15NO4/c16-12-3-1-10-2-4-13(17)19-14(10)11(12)9-15-5-7-18-8-6-15/h1-4,16H,5-9H2 |
| InChIK | WKAJWXLJOVDRBB-UHFFFAOYSA-N |
| TotalMolweight | 261.276 |
| Molweight | 261.276 |
| MonoisotopicMass | 261.100109 |
| CLogP | 0.7436 |
| CLogS | -1.655 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 195.96 |
| Relative PSA | 0.25357 |
| PolarSurfaceArea | 59 |
| Druglikeness | -0.76215 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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