[3,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-5-yl] benzoate
Formula:C22H15O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-5-yl] benzoate is a drug-like molecule.
| MolName | [3,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-5-yl] benzoate |
| MolecularFormula | C22H15O6 |
| Smiles | Oc(cc1)ccc1-c1[o+]c2cc(O)cc(OC(c3ccccc3)=O)c2cc1O |
| InChI | InChI=1S/C22H14O6/c23-15-8-6-13(7-9-15)21-18(25)12-17-19(27-21)10-16(24)11-20(17)28-22(26)14-4-2-1-3-5-14/h1-12H,(H2-,23,24,25)/p+1 |
| InChIK | LYWLLLPTBUNTTC-UHFFFAOYSA-O |
| TotalMolweight | 375.355 |
| Molweight | 375.355 |
| MonoisotopicMass | 375.086865 |
| CLogP | 3.7599 |
| CLogS | -5.316 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 261.97 |
| Relative PSA | 0.23797 |
| PolarSurfaceArea | 86.99 |
| Druglikeness | -5.6183 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | pyrylium |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [3,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-5-yl] benzoate | 2 - [3,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-5-yl] benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off