5-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxybenzoic acid
Formula:C14H10O5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxybenzoic acid is a drug-like molecule.
| MolName | 5-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxybenzoic acid |
| MolecularFormula | C14H10O5 |
| Smiles | OC(c(cc(cc1)C(/C=C/c2ccco2)=O)c1O)=O |
| InChI | InChI=1S/C14H10O5/c15-12(6-4-10-2-1-7-19-10)9-3-5-13(16)11(8-9)14(17)18/h1-8,16H,(H,17,18) |
| InChIK | MRLBBQHEODASGQ-UHFFFAOYSA-N |
| TotalMolweight | 258.228 |
| Molweight | 258.228 |
| MonoisotopicMass | 258.052825 |
| CLogP | 1.6319 |
| CLogS | -3.239 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 197.41 |
| Relative PSA | 0.33631 |
| PolarSurfaceArea | 87.74 |
| Druglikeness | 0.35744 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxybenzoic acid | 2 - 5-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxybenzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off