(7-hydroxy-2-oxochromen-4-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
Formula:C21H15NO7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(7-hydroxy-2-oxochromen-4-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate is a drug-like molecule.
| MolName | (7-hydroxy-2-oxochromen-4-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate |
| MolecularFormula | C21H15NO7 |
| Smiles | Oc(cc1)cc(O2)c1C(COC(CCN(C(c1c3cccc1)=O)C3=O)=O)=CC2=O |
| InChI | InChI=1S/C21H15NO7/c23-13-5-6-14-12(9-19(25)29-17(14)10-13)11-28-18(24)7-8-22-20(26)15-3-1-2-4-16(15)21(22)27/h1-6,9-10,23H,7-8,11H2 |
| InChIK | CMHSKHTVDUWUIV-UHFFFAOYSA-N |
| TotalMolweight | 393.35 |
| Molweight | 393.35 |
| MonoisotopicMass | 393.084854 |
| CLogP | 1.6649 |
| CLogS | -2.917 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 279.66 |
| Relative PSA | 0.31756 |
| PolarSurfaceArea | 110.21 |
| Druglikeness | -0.049358 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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