5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
Formula:C15H12O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid is a drug-like molecule.
| MolName | 5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid |
| MolecularFormula | C15H12O5 |
| Smiles | OC(c(cc(/C=C/c(cc1)cc(O)c1O)cc1)c1O)=O |
| InChI | InChI=1S/C15H12O5/c16-12-5-3-9(7-11(12)15(19)20)1-2-10-4-6-13(17)14(18)8-10/h1-8,16-18H,(H,19,20) |
| InChIK | LFKFXGRMKCMWJH-UHFFFAOYSA-N |
| TotalMolweight | 272.255 |
| Molweight | 272.255 |
| MonoisotopicMass | 272.068475 |
| CLogP | 2.3146 |
| CLogS | -2.877 |
| H Acceptors | 5 |
| H Donors | 4 |
| TotalSurfaceArea | 202.67 |
| Relative PSA | 0.32289 |
| PolarSurfaceArea | 97.99 |
| Druglikeness | -1.4469 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid | 2 - 5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off