2-[3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxyphenoxy]acetic acid
Formula:C15H12O6
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxyphenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxyphenoxy]acetic acid |
| MolecularFormula | C15H12O6 |
| Smiles | OC(COc(cc1)cc(C(/C=C/c2ccco2)=O)c1O)=O |
| InChI | InChI=1S/C15H12O6/c16-13(5-3-10-2-1-7-20-10)12-8-11(4-6-14(12)17)21-9-15(18)19/h1-8,17H,9H2,(H,18,19) |
| InChIK | OGCPQJVKAXTXCT-UHFFFAOYSA-N |
| TotalMolweight | 288.254 |
| Molweight | 288.254 |
| MonoisotopicMass | 288.06339 |
| CLogP | 1.2068 |
| CLogS | -3.019 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 221.17 |
| Relative PSA | 0.34539 |
| PolarSurfaceArea | 96.97 |
| Druglikeness | 0.78801 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxyphenoxy]acetic acid | 2 - 2-[3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxyphenoxy]acetic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off