(E)-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enoic acid
Formula:C12H8O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enoic acid |
| MolecularFormula | C12H8O5 |
| Smiles | OC(/C=C/C1=COc(cc(cc2)O)c2C1=O)=O |
| InChI | InChI=1S/C12H8O5/c13-8-2-3-9-10(5-8)17-6-7(12(9)16)1-4-11(14)15/h1-6,13H,(H,14,15) |
| InChIK | CHUIYLKKZQVXKM-UHFFFAOYSA-N |
| TotalMolweight | 232.191 |
| Molweight | 232.191 |
| MonoisotopicMass | 232.037175 |
| CLogP | 0.8839 |
| CLogS | -2.273 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 169.17 |
| Relative PSA | 0.36815 |
| PolarSurfaceArea | 83.83 |
| Druglikeness | 1.2921 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enoic acid | 2 - (E)-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off