7-hydroxy-8-(morpholin-4-ylmethyl)-4-(2-oxochromen-3-yl)chromen-2-one
Formula:C23H19NO6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
7-hydroxy-8-(morpholin-4-ylmethyl)-4-(2-oxochromen-3-yl)chromen-2-one is a drug-like molecule.
| MolName | 7-hydroxy-8-(morpholin-4-ylmethyl)-4-(2-oxochromen-3-yl)chromen-2-one |
| MolecularFormula | C23H19NO6 |
| Smiles | Oc(cc1)c(CN2CCOCC2)c(O2)c1C(C1=Cc(cccc3)c3OC1=O)=CC2=O |
| InChI | InChI=1S/C23H19NO6/c25-19-6-5-15-16(17-11-14-3-1-2-4-20(14)29-23(17)27)12-21(26)30-22(15)18(19)13-24-7-9-28-10-8-24/h1-6,11-12,25H,7-10,13H2 |
| InChIK | UZHHMQJLLLXPIO-UHFFFAOYSA-N |
| TotalMolweight | 405.405 |
| Molweight | 405.405 |
| MonoisotopicMass | 405.121239 |
| CLogP | 1.7822 |
| CLogS | -2.894 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 292.89 |
| Relative PSA | 0.24832 |
| PolarSurfaceArea | 85.3 |
| Druglikeness | 0.27331 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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