7-hydroxy-4-pyridin-4-ylchromen-2-one
Formula:C14H9NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
7-hydroxy-4-pyridin-4-ylchromen-2-one is a drug-like molecule.
| MolName | 7-hydroxy-4-pyridin-4-ylchromen-2-one |
| MolecularFormula | C14H9NO3 |
| Smiles | Oc(cc1)cc(O2)c1C(c1ccncc1)=CC2=O |
| InChI | InChI=1S/C14H9NO3/c16-10-1-2-11-12(9-3-5-15-6-4-9)8-14(17)18-13(11)7-10/h1-8,16H |
| InChIK | PTBKPYBPJZBSMP-UHFFFAOYSA-N |
| TotalMolweight | 239.229 |
| Molweight | 239.229 |
| MonoisotopicMass | 239.058244 |
| CLogP | 1.6489 |
| CLogS | -2.484 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 177.09 |
| Relative PSA | 0.26602 |
| PolarSurfaceArea | 59.42 |
| Druglikeness | -2.4862 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 7-hydroxy-4-pyridin-4-ylchromen-2-one | 2 - 7-hydroxy-4-pyridin-4-ylchromen-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off