7-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
Formula:C15H15NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is a drug-like molecule.
| MolName | 7-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide |
| MolecularFormula | C15H15NO5 |
| Smiles | Oc(cc1)cc(O2)c1C=C(C(NCC1OCCC1)=O)C2=O |
| InChI | InChI=1S/C15H15NO5/c17-10-4-3-9-6-12(15(19)21-13(9)7-10)14(18)16-8-11-2-1-5-20-11/h3-4,6-7,11,17H,1-2,5,8H2,(H,16,18)/t11-/m1/s1 |
| InChIK | PEBDFNWMFNZVAV-LLVKDONJSA-N |
| TotalMolweight | 289.286 |
| Molweight | 289.286 |
| MonoisotopicMass | 289.095024 |
| CLogP | 0.5691 |
| CLogS | -2.35 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 211.82 |
| Relative PSA | 0.33349 |
| PolarSurfaceArea | 84.86 |
| Druglikeness | -0.75712 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Amides | 1 |
| StereoCon | racemate |
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